Molecule
ID:13069
General Information
Molecular Formula
C₁₃H₁₁NO
Molecular Mass
197.23254
Exact Mass
197.08406398
Charge
0
InChI
InChI=1S/C13H11NO/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-8,14H,9H2
InChIKey
YUFONPPSLOZSAT-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)CNc1c(O2)cccc1
Isomeric Smiles
N1Cc2c(Oc3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
13.487475
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6962175
LogD (pH = 7.4)
2.6975214
Log P
2.6975384
Molar Refractivity
61.0472
Polarizability
22.92518
Polar Surface Area
21.26
Rotatable Bonds
0
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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