Adrenocorticotropic hormone rat

C₄H₁₁ClN₂O₃CAS 77465-10-2170.59 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₄H₁₁ClN₂O₃
Molar mass: 170.59 g/mol
Exact mass: 170.0458 Da
logP: -1.20Crippen estimate
Polar surface area: 87.6 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers
H351 Suspected of causing cancer100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, P501

Identifiers

CAS number

77465-10-2

SMILES

COC(=O)C(CON)N.Cl

InChIKey

GDVXEEKLHYSUSO-UHFFFAOYSA-N

InChI

InChI=1S/C4H10N2O3.ClH/c1-8-4(7)3(5)2-9-6;/h3H,2,5-6H2,1H3;1H

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Work with Adrenocorticotropic hormone rat

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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