Molecule

ID:114324

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂
Molecular Mass
156.61276
Exact Mass
156.04542598
Charge
0
InChI
InChI=1S/C7H9ClN2/c1-5(2)6-3-7(8)10-4-9-6/h3-5H,1-2H3
InChIKey
NENMSRIKRXUOPS-UHFFFAOYSA-N
Canonic Smiles
CC(c1ncnc(c1)Cl)C
Isomeric Smiles
c1c(ncnc1Cl)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2487655
LogD (pH = 7.4)
2.2488484
Log P
2.2488496
Molar Refractivity
42.3813
Polarizability
15.929567
Polar Surface Area
25.78
Rotatable Bonds
1
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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