Molecule

ID:11590

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO
Molecular Mass
303.82638
Exact Mass
303.13899201
Charge
0
InChI
InChI=1S/C18H21NO.ClH/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17;/h1-10,17,19-20H,11-14H2;1H
InChIKey
LBRAWKGGVUCSOX-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccccc1)(c1ccccc1)C1CCNCC1.Cl
Isomeric Smiles
C(c1ccccc1)(c1ccccc1)(C1CCNCC1)O.Cl
Calculated Properties
JChem
Acid pKa
13.21939
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.3413978
LogD (pH = 7.4)
0.33140144
Log P
2.8795443
Molar Refractivity
82.2217
Polarizability
32.43273
Polar Surface Area
32.26
Rotatable Bonds
3
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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