Molecule

ID:53138

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClN₂
Molecular Mass
154.59688
Exact Mass
154.02977591
Charge
0
InChI
InChI=1S/C7H7ClN2/c8-7-5-2-1-3-6(5)9-4-10-7/h4H,1-3H2
InChIKey
QFBRTAZCGKXPJK-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc2c1CCC2
Isomeric Smiles
c12c(ncnc1Cl)CCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7554797
LogD (pH = 7.4)
1.7555578
Log P
1.7555588
Molar Refractivity
41.0458
Polarizability
15.138912
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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