Molecule

ID:34553

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇ClN₂O
Molecular Mass
300.78268
Exact Mass
300.10294085
Charge
0
InChI
InChI=1S/C17H17ClN2O/c18-15-3-1-2-14(12-15)17(21)13-4-6-16(7-5-13)20-10-8-19-9-11-20/h1-7,12,19H,8-11H2
InChIKey
QOBKOVGSAHQBPI-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)C(=O)c1ccc(cc1)N1CCNCC1
Isomeric Smiles
N1(CCNCC1)c1ccc(cc1)C(=O)c1cc(ccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6616654
LogD (pH = 7.4)
2.2417033
Log P
3.608759
Molar Refractivity
86.6223
Polarizability
33.142128
Polar Surface Area
32.34
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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