Molecule

ID:11333

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClNO₃
Molecular Mass
295.76132
Exact Mass
295.09752112
Charge
0
InChI
InChI=1S/C15H17NO3.ClH/c1-2-5-13-11-19-15(18-10-12(13)4-1)9-16-8-14-6-3-7-17-14;/h1-7,15-16H,8-11H2;1H
InChIKey
MGKNJIRUUNJIBV-UHFFFAOYSA-N
Canonic Smiles
N(Cc1ccco1)CC1OCc2c(CO1)cccc2.Cl
Isomeric Smiles
c12c(cccc1)COC(OC2)CNCc1occc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5991261
LogD (pH = 7.4)
2.0855331
Log P
2.2994688
Molar Refractivity
71.6887
Polarizability
28.161835
Polar Surface Area
43.63
Rotatable Bonds
4
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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