Molecule

ID:56409

General Information
Structure
Molecular Formula
C₁₆H₁₂ClNO₂
Molecular Mass
285.72498
Exact Mass
285.05565631
Charge
0
InChI
InChI=1S/C16H12ClNO2/c1-9-4-3-5-11-12(16(17)19)8-13(18-15(9)11)14-7-6-10(2)20-14/h3-8H,1-2H3
InChIKey
YUOREWZHOQQZTQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)c1cc(C(=O)Cl)c2c(n1)c(C)ccc2
Isomeric Smiles
n1c2c(c(cc1c1oc(cc1)C)C(=O)Cl)cccc2C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1281176
LogD (pH = 7.4)
4.128118
Log P
4.128118
Molar Refractivity
78.44
Polarizability
32.057632
Polar Surface Area
43.1
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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