Molecule

ID:65952

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClN
Molecular Mass
203.6675
Exact Mass
203.05017701
Charge
0
InChI
InChI=1S/C12H10ClN/c13-12-7-6-11(9-14-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKey
SFSNZWOWXYUDIO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)Cc1ccccc1
Isomeric Smiles
n1c(Cl)ccc(c1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.671559
LogD (pH = 7.4)
3.671589
Log P
3.6715894
Molar Refractivity
59.5044
Polarizability
22.716576
Polar Surface Area
12.89
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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