Molecule

ID:10673

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClN
Molecular Mass
151.59294
Exact Mass
151.01887688
Charge
0
InChI
InChI=1S/C8H6ClN/c1-6-2-3-8(9)7(4-6)5-10/h2-4H,1H3
InChIKey
ZTIPZBJOLLKLTB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(C)ccc1Cl
Isomeric Smiles
c1(ccc(c(c1)C#N)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.946808
LogD (pH = 7.4)
2.946808
Log P
2.946808
Molar Refractivity
41.6256
Polarizability
15.800413
Polar Surface Area
23.79
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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