Molecule

ID:70948

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂
Molecular Mass
142.58618
Exact Mass
142.02977591
Charge
0
InChI
InChI=1S/C6H7ClN2/c7-4-2-1-3-5(8)6(4)9/h1-3H,8-9H2
InChIKey
SAIXZIVDXDTYCH-UHFFFAOYSA-N
Canonic Smiles
Nc1c(N)cccc1Cl
Isomeric Smiles
c1(c(c(ccc1)Cl)N)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.91519624
LogD (pH = 7.4)
0.9193849
Log P
0.9194386
Molar Refractivity
40.2636
Polarizability
14.483885
Polar Surface Area
52.04
Rotatable Bonds
0
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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