Molecule

ID:37017

General Information
Structure
Molecular Formula
C₁₆H₁₀ClNO₃
Molecular Mass
299.7085
Exact Mass
299.03492087
Charge
0
InChI
InChI=1S/C16H10ClNO3/c1-9-2-5-11(6-3-9)18-15(20)12-7-4-10(14(17)19)8-13(12)16(18)21/h2-8H,1H3
InChIKey
VCXUCGXULQWROW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)Cl
Isomeric Smiles
c1cc(cc2c1C(=O)N(C2=O)c1ccc(cc1)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2793915
LogD (pH = 7.4)
3.2793915
Log P
3.2793915
Molar Refractivity
80.145
Polarizability
29.632402
Polar Surface Area
54.45
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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