Molecule

ID:86653

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClN₂S
Molecular Mass
202.70434
Exact Mass
202.03314704
Charge
0
InChI
InChI=1S/C8H10N2S.ClH/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H
InChIKey
CWDWDWQVZOWQLY-UHFFFAOYSA-N
Canonic Smiles
NC(=N)CSc1ccccc1.Cl
Isomeric Smiles
N=C(CSc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.3843001
LogD (pH = 7.4)
-1.3718764
Log P
1.030998
Molar Refractivity
59.4654
Polarizability
18.923603
Polar Surface Area
49.87
Rotatable Bonds
3
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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