Molecule

ID:54783

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClN
Molecular Mass
273.8004
Exact Mass
273.12842733
Charge
0
InChI
InChI=1S/C17H20ClN/c18-12-7-13-19(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2
InChIKey
LHJJKBNOKYQDFO-UHFFFAOYSA-N
Canonic Smiles
ClCCCN(Cc1ccccc1)Cc1ccccc1
Isomeric Smiles
N(Cc1ccccc1)(Cc1ccccc1)CCCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4536304
LogD (pH = 7.4)
3.1969965
Log P
4.3635654
Molar Refractivity
83.422
Polarizability
32.507904
Polar Surface Area
3.24
Rotatable Bonds
7
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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