Molecule

ID:109809

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClN
Molecular Mass
231.72066
Exact Mass
231.08147713
Charge
0
InChI
InChI=1S/C14H13N.ClH/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12;/h1-11H,15H2;1H
InChIKey
MZALPOCTVQGUJV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)/C=C/c1ccccc1.Cl
Isomeric Smiles
Cl.Nc1ccc(cc1)/C=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4598575
LogD (pH = 7.4)
3.4838462
Log P
3.484161
Molar Refractivity
66.2132
Polarizability
24.762356
Polar Surface Area
26.02
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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