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C₁₃H₂₀N₄O₄SCAS 1159-15-5328.39 g/mol

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Carboxylic acid Guanidine Sulfonamide

Properties

Molecular formula: C₁₃H₂₀N₄O₄S
Molar mass: 328.39 g/mol
Exact mass: 328.1205 Da
logP: -0.22Crippen estimate
Polar surface area: 147.9 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1159-15-5

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)O

InChIKey

KFNRNFXZFIRNEO-NSHDSACASA-N

InChI

InChI=1S/C13H20N4O4S/c1-9-4-6-10(7-5-9)22(20,21)17-11(12(18)19)3-2-8-16-13(14)15/h4-7,11,17H,2-3,8H2,1H3,(H,18,19)(H4,14,15,16)/t11-/m0/s1

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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