Molecule

ID:21950

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂
Molecular Mass
142.58618
Exact Mass
142.02977591
Charge
0
InChI
InChI=1S/C6H7ClN2/c1-4-2-5(8)6(7)9-3-4/h2-3H,8H2,1H3
InChIKey
CQKIBEOVARIBDN-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(c1)N)Cl
Isomeric Smiles
c1(c(ncc(c1)C)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.26416
LogD (pH = 7.4)
1.264289
Log P
1.2642907
Molar Refractivity
39.5088
Polarizability
14.275719
Polar Surface Area
38.91
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
References
Bioactivity
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