Molecule

ID:72349

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇ClN₂O
Molecular Mass
300.78268
Exact Mass
300.10294085
Charge
0
InChI
InChI=1S/C17H17ClN2O/c1-3-20-15-7-5-4-6-13(15)14-10-12(8-9-16(14)20)19-17(21)11(2)18/h4-11H,3H2,1-2H3,(H,19,21)
InChIKey
HKCVFPGMWZCNHM-UHFFFAOYSA-N
Canonic Smiles
CCn1c2ccc(cc2c2c1cccc2)NC(=O)C(Cl)C
Isomeric Smiles
n1(c2c(c3c1cccc3)cc(NC(=O)C(Cl)C)cc2)CC
Calculated Properties
JChem
Acid pKa
13.130091
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.015188
LogD (pH = 7.4)
4.0151873
Log P
4.015188
Molar Refractivity
87.2276
Polarizability
35.21184
Polar Surface Area
34.03
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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