Molecule

ID:53029

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO
Molecular Mass
303.82638
Exact Mass
303.13899201
Charge
0
InChI
InChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3
InChIKey
KKHPNPMTPORSQE-UHFFFAOYSA-N
Canonic Smiles
CN(CCOC(c1ccc(cc1)Cl)(c1ccccc1)C)C
Isomeric Smiles
c1c(ccc(c1)C(c1ccccc1)(C)OCCN(C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2699392
LogD (pH = 7.4)
2.92074
Log P
4.397809
Molar Refractivity
89.571
Polarizability
35.05536
Polar Surface Area
12.47
Rotatable Bonds
6
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
References
Bioactivity
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