Molecule

ID:64982

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO
Molecular Mass
185.22184
Exact Mass
185.08406398
Charge
0
InChI
InChI=1S/C12H11NO/c1-2-5-11(6-3-1)10-14-12-7-4-8-13-9-12/h1-9H,10H2
InChIKey
LLWFWIZOFFLRKC-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)COc1cccnc1
Isomeric Smiles
c1cncc(c1)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2547345
LogD (pH = 7.4)
2.321437
Log P
2.3223753
Molar Refractivity
54.9769
Polarizability
21.556038
Polar Surface Area
22.12
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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