Molecule

ID:103549

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂S
Molecular Mass
240.75232
Exact Mass
240.04879711
Charge
0
InChI
InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H
InChIKey
LAZPBGZRMVRFKY-UHFFFAOYSA-N
Canonic Smiles
C1CN2C(=NC(C2)c2ccccc2)S1.Cl
Isomeric Smiles
Cl.C1CN2CC(N=C2S1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.91581506
LogD (pH = 7.4)
2.220205
Log P
2.358227
Molar Refractivity
60.0784
Polarizability
23.02744
Polar Surface Area
15.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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