Molecule

ID:46497

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)15-9-4-5-10-16(15)19-13-11-14-8-6-7-12-18-14;/h4-5,9-10,14,18H,6-8,11-13H2,1-3H3;1H
InChIKey
FLORSZSLXCEKEC-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1OCCC1CCCCN1)(C)C.Cl
Isomeric Smiles
c1(C(C)(C)C)c(OCCC2NCCCC2)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7407856
LogD (pH = 7.4)
1.3336883
Log P
3.9663203
Molar Refractivity
80.5891
Polarizability
32.02091
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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