Molecule

ID:70835

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClN₂
Molecular Mass
168.62346
Exact Mass
168.04542598
Charge
0
InChI
InChI=1S/C8H8N2.ClH/c9-5-7-3-1-2-4-8(7)6-10;/h1-4H,5,9H2;1H
InChIKey
RPZAONDDEHFWOP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1CN.Cl
Isomeric Smiles
C(#N)c1c(cccc1)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7412052
LogD (pH = 7.4)
-0.1396752
Log P
0.95511043
Molar Refractivity
40.253
Polarizability
15.5390415
Polar Surface Area
49.81
Rotatable Bonds
1
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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