Molecule

ID:23938

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁ClN₂
Molecular Mass
300.82574
Exact Mass
300.13932636
Charge
0
InChI
InChI=1S/C18H20N2.ClH/c1-14(19)11-16-13-20(12-15-7-3-2-4-8-15)18-10-6-5-9-17(16)18;/h2-10,13-14H,11-12,19H2,1H3;1H
InChIKey
YHVUTBFBEFHTNK-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1cn(c2c1cccc2)Cc1ccccc1)N.Cl
Isomeric Smiles
c12n(cc(c1cccc2)CC(C)N)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.8341992
LogD (pH = 7.4)
1.4203303
Log P
3.8511617
Molar Refractivity
84.301
Polarizability
34.02666
Polar Surface Area
30.95
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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