Molecule

ID:29435

General Information
Structure
Molecular Formula
C₁₆H₁₈ClN
Molecular Mass
259.77382
Exact Mass
259.11277726
Charge
0
InChI
InChI=1S/C16H18ClN/c1-12(2)15-8-3-4-9-16(15)18-11-13-6-5-7-14(17)10-13/h3-10,12,18H,11H2,1-2H3
InChIKey
ABGJTBQYJDVVBJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)CNc1ccccc1C(C)C
Isomeric Smiles
c1(c(NCc2cc(Cl)ccc2)cccc1)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.0127425
LogD (pH = 7.4)
5.0194645
Log P
5.019551
Molar Refractivity
79.86
Polarizability
30.231995
Polar Surface Area
12.03
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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