Molecule

ID:46409

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)16-8-6-15(7-9-16)13-19-12-10-17-5-3-4-11-18-17;/h6-9,14,17-18H,3-5,10-13H2,1-2H3;1H
InChIKey
XKZYUYUBHQFVJL-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)COCCC1CCCCN1)C.Cl
Isomeric Smiles
N1C(CCOCc2ccc(cc2)C(C)C)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.46815646
LogD (pH = 7.4)
0.9251062
Log P
3.6997213
Molar Refractivity
81.2179
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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