Molecule

ID:58000

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅ClN₂O₂
Molecular Mass
302.7555
Exact Mass
302.08220541
Charge
0
InChI
InChI=1S/C16H15ClN2O2/c17-11-14(20)18-19-16(21)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,18,20)(H,19,21)
InChIKey
CXAMXCRTIAIZOW-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1
Isomeric Smiles
C(=O)(NNC(=O)CCl)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
8.340491
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.4281812
LogD (pH = 7.4)
2.3872213
Log P
2.4287362
Molar Refractivity
81.4764
Polarizability
31.525957
Polar Surface Area
58.2
Rotatable Bonds
5
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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