Molecule
ID:19557
General Information
Molecular Formula
C₁₆H₁₃NO
Molecular Mass
235.28052
Exact Mass
235.09971404
Charge
0
InChI
InChI=1S/C16H13NO/c17-15-7-3-4-8-16(15)18-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,17H2
InChIKey
KNYWJNQPNWFFHH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1Oc1ccc2c(c1)cccc2
Isomeric Smiles
O(c1c(N)cccc1)c1cc2c(cc1)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6321118
LogD (pH = 7.4)
3.634059
Log P
3.6340837
Molar Refractivity
73.4494
Polarizability
29.42487
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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