Molecule

ID:78529

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂
Molecular Mass
142.58618
Exact Mass
142.02977591
Charge
0
InChI
InChI=1S/C6H7ClN2/c1-4-3-6(7)9-8-5(4)2/h3H,1-2H3
InChIKey
MFZWCOUQCKMXEJ-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc(c(c1)C)C
Isomeric Smiles
n1nc(c(cc1Cl)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2447263
LogD (pH = 7.4)
1.2448157
Log P
1.2448169
Molar Refractivity
39.2632
Polarizability
14.038323
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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