Molecule

ID:56008

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅NO₂
Molecular Mass
287.3966
Exact Mass
287.18852905
Charge
0
InChI
InChI=1S/C18H25NO2/c1-20-16-6-14(15(19)7-17(16)21-2)18-8-11-3-12(9-18)5-13(4-11)10-18/h6-7,11-13H,3-5,8-10,19H2,1-2H3
InChIKey
RNLQWLWZWFAALP-UHFFFAOYSA-N
Canonic Smiles
COc1cc(c(cc1OC)N)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(c3c(cc(c(c3)OC)OC)N)CC3CC(C1)CC(C2)C3
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1523058
LogD (pH = 7.4)
3.1772912
Log P
3.1776192
Molar Refractivity
84.3929
Polarizability
32.65397
Polar Surface Area
44.48
Rotatable Bonds
3
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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