Molecule

ID:76390

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClN
Molecular Mass
273.8004
Exact Mass
273.12842733
Charge
0
InChI
InChI=1S/C17H19N.ClH/c1-3-8-15(9-4-1)17(12-7-13-18-14-17)16-10-5-2-6-11-16;/h1-6,8-11,18H,7,12-14H2;1H
InChIKey
OKUKAYBAYQSEQM-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)(c1ccccc1)c1ccccc1.Cl
Isomeric Smiles
N1CC(c2ccccc2)(c2ccccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.45726156
LogD (pH = 7.4)
1.2648612
Log P
3.6680694
Molar Refractivity
86.3895
Polarizability
29.95221
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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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