Molecule

ID:91615

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO
Molecular Mass
195.6455
Exact Mass
195.04509163
Charge
0
InChI
InChI=1S/C10H9NO.ClH/c11-9-5-2-1-4-8(9)10-6-3-7-12-10;/h1-7H,11H2;1H
InChIKey
JJDQCJJWTAYECE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1c1ccco1.Cl
Isomeric Smiles
o1c(ccc1)c1c(cccc1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8504299
LogD (pH = 7.4)
1.8517747
Log P
1.8517919
Molar Refractivity
48.2855
Polarizability
19.331669
Polar Surface Area
39.16
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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