Molecule

ID:46496

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)15-8-4-5-9-16(15)19-12-10-14-7-6-11-18-13-14;/h4-5,8-9,14,18H,6-7,10-13H2,1-3H3;1H
InChIKey
MGNDAGSRIJUWIM-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1OCCC1CCCNC1)(C)C.Cl
Isomeric Smiles
c1(C(C)(C)C)c(OCCC2CNCCC2)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6752363
LogD (pH = 7.4)
1.0512863
Log P
3.9095585
Molar Refractivity
80.7625
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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