Molecule

ID:34986

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅NO₂
Molecular Mass
287.3966
Exact Mass
287.18852905
Charge
0
InChI
InChI=1S/C18H25NO2/c1-13(19-15-9-5-3-4-6-10-15)17-12-14-8-7-11-16(20-2)18(14)21-17/h7-8,11-13,15,19H,3-6,9-10H2,1-2H3
InChIKey
JMCFVVYIQNIKMV-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1oc(c2)C(NC1CCCCCC1)C
Isomeric Smiles
o1c(cc2c1c(OC)ccc2)C(NC1CCCCCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9485506
LogD (pH = 7.4)
2.083613
Log P
4.113462
Molar Refractivity
84.5218
Polarizability
34.63632
Polar Surface Area
34.4
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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