Molecule

ID:11274

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO₃
Molecular Mass
301.80896
Exact Mass
301.14447131
Charge
0
InChI
InChI=1S/C15H23NO3.ClH/c1-17-13-8-11(9-14(18-2)15(13)19-3)10-16-12-6-4-5-7-12;/h8-9,12,16H,4-7,10H2,1-3H3;1H
InChIKey
BDQVACIPSUPLBP-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNC2CCCC2)cc(c1OC)OC.Cl
Isomeric Smiles
c1(c(cc(cc1OC)CNC1CCCC1)OC)OC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.7790988
LogD (pH = 7.4)
0.19518615
Log P
2.4132826
Molar Refractivity
75.1088
Polarizability
29.725376
Polar Surface Area
39.72
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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