Molecule

ID:17465

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,8-9H,7H2
InChIKey
QONDAZCJAPQGRX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cncn1Cc1ccccc1
Isomeric Smiles
n1(c(cnc1)C=O)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3105516
LogD (pH = 7.4)
1.4333781
Log P
1.4354285
Molar Refractivity
54.9836
Polarizability
20.395699
Polar Surface Area
34.89
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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