Molecule

ID:46495

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈ClNO
Molecular Mass
297.86332
Exact Mass
297.1859422
Charge
0
InChI
InChI=1S/C17H27NO.ClH/c1-17(2,3)15-6-4-5-7-16(15)19-13-10-14-8-11-18-12-9-14;/h4-7,14,18H,8-13H2,1-3H3;1H
InChIKey
CFOQWCLZQMHOTJ-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1OCCC1CCNCC1)(C)C.Cl
Isomeric Smiles
c1(C(C)(C)C)c(OCCC2CCNCC2)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.600019
LogD (pH = 7.4)
1.0564089
Log P
3.8316047
Molar Refractivity
80.8395
Polarizability
32.020912
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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