Molecule

ID:31202

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO
Molecular Mass
195.6455
Exact Mass
195.04509163
Charge
0
InChI
InChI=1S/C10H10ClNO/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-6H,12H2,1H3
InChIKey
IMSCAUVOIHGEFA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)cc(o2)C(N)C
Isomeric Smiles
c1(oc2c(c1)cc(cc2)Cl)C(N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.36340025
LogD (pH = 7.4)
1.3027513
Log P
2.1987584
Molar Refractivity
52.4736
Polarizability
21.776802
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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