Molecule

ID:19526

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO
Molecular Mass
219.6669
Exact Mass
219.04509163
Charge
0
InChI
InChI=1S/C12H10ClNO/c13-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14/h1-8H,14H2
InChIKey
CADLUJRSKCJOCP-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)Oc1ccccc1N
Isomeric Smiles
O(c1c(N)cccc1)c1cc(Cl)ccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2476878
LogD (pH = 7.4)
3.2486396
Log P
3.2486517
Molar Refractivity
61.804
Polarizability
23.659763
Polar Surface Area
35.25
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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