Molecule

ID:74615

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅ClN₂O
Molecular Mass
298.7668
Exact Mass
298.08729079
Charge
0
InChI
InChI=1S/C17H15ClN2O/c18-14-7-5-12(6-8-14)17(21)19-10-9-13-11-20-16-4-2-1-3-15(13)16/h1-8,11,20H,9-10H2,(H,19,21)
InChIKey
BKIHJPWFXBXXSR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)NCCc1c[nH]c2c1cccc2
Isomeric Smiles
[nH]1cc(c2c1cccc2)CCNC(=O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
14.729041
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.763503
LogD (pH = 7.4)
3.763503
Log P
3.763503
Molar Refractivity
85.292
Polarizability
33.512222
Polar Surface Area
44.89
Rotatable Bonds
4
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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