Molecule

ID:46504

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)16-8-4-5-9-17(16)19-12-10-15-7-6-11-18-13-15;/h4-5,8-9,14-15,18H,3,6-7,10-13H2,1-2H3;1H
InChIKey
ITQDCQNQICJHJN-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OCCC1CCCNC1)C.Cl
Isomeric Smiles
c1(c(OCCC2CNCCC2)cccc1)C(CC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8197578
LogD (pH = 7.4)
1.1958079
Log P
4.05408
Molar Refractivity
80.8884
Polarizability
32.021572
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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