Molecule

ID:75679

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂
Molecular Mass
156.61276
Exact Mass
156.04542598
Charge
0
InChI
InChI=1S/C7H9ClN2/c1-2-3-6-4-5-9-7(8)10-6/h4-5H,2-3H2,1H3
InChIKey
CGLUHKKJYQSSEX-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccnc(n1)Cl
Isomeric Smiles
n1c(ccnc1Cl)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2347598
LogD (pH = 7.4)
2.2347605
Log P
2.2347605
Molar Refractivity
42.0403
Polarizability
15.990836
Polar Surface Area
25.78
Rotatable Bonds
2
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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