Molecule

ID:20120

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO
Molecular Mass
185.22184
Exact Mass
185.08406398
Charge
0
InChI
InChI=1S/C12H11NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2
InChIKey
WOYZXEVUWXQVNV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
O(c1ccc(N)cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6145947
LogD (pH = 7.4)
2.6442158
Log P
2.644607
Molar Refractivity
56.9992
Polarizability
21.82209
Polar Surface Area
35.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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