Molecule

ID:85121

General Information
Structure
Molecular Formula
C₁₇H₁₄ClNO₃
Molecular Mass
315.75096
Exact Mass
315.06622099
Charge
0
InChI
InChI=1S/C17H14ClNO3/c1-11-7-9-12(10-8-11)15(20)14(18)16(21)17(22)19-13-5-3-2-4-6-13/h2-10,14H,1H3,(H,19,22)
InChIKey
UTMQCOBNBZXLNJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(=O)C(C(=O)C(=O)Nc1ccccc1)Cl
Isomeric Smiles
N(c1ccccc1)C(=O)C(=O)C(C(=O)c1ccc(cc1)C)Cl
Calculated Properties
JChem
Acid pKa
-3.927098
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.243506
LogD (pH = 7.4)
1.2435029
Log P
1.2908922
Molar Refractivity
85.8586
Polarizability
32.21344
Polar Surface Area
63.24
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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