Molecule

ID:31302

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO₃S
Molecular Mass
267.77282
Exact Mass
267.06959212
Charge
0
InChI
InChI=1S/C10H18ClNO3S/c1-2-3-5-12(10(13)7-11)9-4-6-16(14,15)8-9/h9H,2-8H2,1H3
InChIKey
VKMJMESXFCNSSL-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C1CCS(=O)(=O)C1)C(=O)CCl
Isomeric Smiles
S1(=O)(=O)CC(N(C(=O)CCl)CCCC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.05839024
LogD (pH = 7.4)
0.05839024
Log P
0.05839024
Molar Refractivity
63.4371
Polarizability
25.735764
Polar Surface Area
54.45
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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