Molecule

ID:19881

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO₂
Molecular Mass
203.23712
Exact Mass
203.09462866
Charge
0
InChI
InChI=1S/C12H13NO2/c1-9-4-5-11(13)12(7-9)15-8-10-3-2-6-14-10/h2-7H,8,13H2,1H3
InChIKey
KDBHMFDZENNEMR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)OCc1ccco1)N
Isomeric Smiles
c1(OCc2occc2)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2445462
LogD (pH = 7.4)
2.2842588
Log P
2.2847898
Molar Refractivity
59.2663
Polarizability
22.203148
Polar Surface Area
48.39
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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