Molecule

ID:28770

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈ClN
Molecular Mass
307.81662
Exact Mass
307.11277726
Charge
0
InChI
InChI=1S/C20H18ClN/c21-20-9-5-4-8-19(20)15-22-14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-13,22H,14-15H2
InChIKey
STTKPYJNLOSPCB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1CNCc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(c(Cl)cccc1)CNCc1ccc(c2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8380919
LogD (pH = 7.4)
4.554744
Log P
5.5073376
Molar Refractivity
93.8596
Polarizability
38.077526
Polar Surface Area
12.03
Rotatable Bonds
5
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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