Molecule

ID:60733

General Information
Structure
Molecular Formula
C₁₈H₂₀ClN
Molecular Mass
285.8111
Exact Mass
285.12842733
Charge
0
InChI
InChI=1S/C18H20ClN/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,20H,12H2,1-3H3
InChIKey
CPOHOSOUXUSHFX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C1(C)CC(C)(C)Nc2c1cccc2
Isomeric Smiles
C1(c2c(NC(C1)(C)C)cccc2)(c1ccc(cc1)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.9211907
LogD (pH = 7.4)
4.9521384
Log P
4.9525476
Molar Refractivity
97.6373
Polarizability
33.182827
Polar Surface Area
12.03
Rotatable Bonds
1
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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