Molecule

ID:46505

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈ClNO
Molecular Mass
297.86332
Exact Mass
297.1859422
Charge
0
InChI
InChI=1S/C17H27NO.ClH/c1-3-14(2)16-9-4-5-10-17(16)19-13-11-15-8-6-7-12-18-15;/h4-5,9-10,14-15,18H,3,6-8,11-13H2,1-2H3;1H
InChIKey
NBTWMPWUAJAIHT-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OCCC1CCCCN1)C.Cl
Isomeric Smiles
c1(c(OCCC2NCCCC2)cccc1)C(CC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8853072
LogD (pH = 7.4)
1.4782097
Log P
4.1108418
Molar Refractivity
80.715
Polarizability
32.02157
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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