Molecule

ID:61119

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂ClNO₂
Molecular Mass
297.73568
Exact Mass
297.05565631
Charge
0
InChI
InChI=1S/C17H12ClNO2/c1-10(20)15-16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-17(15)21/h2-9H,1H3,(H,19,21)
InChIKey
AJBGMDVXSIBMLC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)C(=O)C
Isomeric Smiles
c1(c(c2c(nc1O)ccc(c2)Cl)c1ccccc1)C(=O)C
Calculated Properties
JChem
Acid pKa
11.882539
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.880707
LogD (pH = 7.4)
4.8806963
Log P
4.88071
Molar Refractivity
82.6175
Polarizability
34.13674
Polar Surface Area
50.19
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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