Molecule

ID:66275

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c1-9-12-6-7-13(9)11-5-3-2-4-10(11)8-14/h2-8H,1H3
InChIKey
BNOJZJUNSOKVQD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1n1ccnc1C
Isomeric Smiles
C(=O)c1c(cccc1)n1c(ncc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6210604
LogD (pH = 7.4)
1.4391221
Log P
1.5719774
Molar Refractivity
65.0311
Polarizability
21.08227
Polar Surface Area
34.89
Rotatable Bonds
2
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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