Molecule

ID:46678

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO
Molecular Mass
303.82638
Exact Mass
303.13899201
Charge
0
InChI
InChI=1S/C18H21NO.ClH/c1-2-4-15(5-3-1)12-16-6-8-18(9-7-16)20-14-17-10-11-19-13-17;/h1-9,17,19H,10-14H2;1H
InChIKey
CLNNYEHHZCCHJB-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)Cc1ccc(cc1)OCC1CCNC1.Cl
Isomeric Smiles
N1CC(COc2ccc(Cc3ccccc3)cc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.36914247
LogD (pH = 7.4)
0.5277524
Log P
3.6087155
Molar Refractivity
82.533
Polarizability
32.422386
Polar Surface Area
21.26
Rotatable Bonds
5
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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