Molecule

ID:20340

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO₂
Molecular Mass
203.23712
Exact Mass
203.09462866
Charge
0
InChI
InChI=1S/C12H13NO2/c1-9-7-10(13)4-5-12(9)15-8-11-3-2-6-14-11/h2-7H,8,13H2,1H3
InChIKey
VMRDQUKOPKSXCC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)OCc1ccco1
Isomeric Smiles
c1(occc1)COc1c(cc(N)cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1511245
LogD (pH = 7.4)
2.2828197
Log P
2.2847898
Molar Refractivity
59.2663
Polarizability
22.20275
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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