Molecule

ID:46408

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈ClNO
Molecular Mass
297.86332
Exact Mass
297.1859422
Charge
0
InChI
InChI=1S/C17H27NO.ClH/c1-14(2)17-7-5-16(6-8-17)13-19-11-9-15-4-3-10-18-12-15;/h5-8,14-15,18H,3-4,9-13H2,1-2H3;1H
InChIKey
FLMXCUMRUOJWQX-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)COCCC1CCCNC1)C.Cl
Isomeric Smiles
N1CC(CCOCc2ccc(cc2)C(C)C)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.40863693
LogD (pH = 7.4)
0.78467983
Log P
3.6429594
Molar Refractivity
81.3913
Polarizability
32.031475
Polar Surface Area
21.26
Rotatable Bonds
6
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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