Molecule

ID:11725

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClN
Molecular Mass
273.8004
Exact Mass
273.12842733
Charge
0
InChI
InChI=1S/C17H19N.ClH/c1-3-7-15(8-4-1)17(11-13-18-14-12-17)16-9-5-2-6-10-16;/h1-10,18H,11-14H2;1H
InChIKey
VHBVKKWTZYRNHX-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)(c1ccccc1)c1ccccc1.Cl
Isomeric Smiles
C1C(CCNC1)(c1ccccc1)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.29156098
LogD (pH = 7.4)
0.9697162
Log P
3.5121617
Molar Refractivity
86.5435
Polarizability
29.953516
Polar Surface Area
12.03
Rotatable Bonds
2
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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