Molecule

ID:54978

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄ClNO₃
Molecular Mass
315.75096
Exact Mass
315.06622099
Charge
0
InChI
InChI=1S/C17H14ClNO3/c18-14-8-4-5-12(9-14)10-16(20)19-15(11-22-17(19)21)13-6-2-1-3-7-13/h1-9,15H,10-11H2/t15-/m1/s1
InChIKey
DFFGUPIVHPCCGK-OAHLLOKOSA-N
Canonic Smiles
Clc1cccc(c1)CC(=O)N1C(=O)OC[C@@H]1c1ccccc1
Isomeric Smiles
O1C(=O)N([C@H](C1)c1ccccc1)C(=O)Cc1cc(ccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.852387
LogD (pH = 7.4)
3.852387
Log P
3.852387
Molar Refractivity
82.3926
Polarizability
32.249306
Polar Surface Area
46.61
Rotatable Bonds
3
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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