Molecule

ID:42511

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂S
Molecular Mass
230.7575
Exact Mass
230.06444717
Charge
0
InChI
InChI=1S/C10H15ClN2S/c11-10-12-7-9(14-10)8-13-5-3-1-2-4-6-13/h7H,1-6,8H2
InChIKey
XNLFSVRNYLIVEH-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(s1)CN1CCCCCC1
Isomeric Smiles
c1(ncc(s1)CN1CCCCCC1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8591903
LogD (pH = 7.4)
2.522135
Log P
2.914824
Molar Refractivity
61.3621
Polarizability
23.792356
Polar Surface Area
16.13
Rotatable Bonds
2
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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