Molecule

ID:9934

General Information
Structure
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c12-13-11(14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,12H2,(H,13,14)
InChIKey
RARLPRMZJNIQGU-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc2c(c1)cccc2
Isomeric Smiles
C(=O)(c1cc2c(cc1)cccc2)NN
Calculated Properties
JChem
Acid pKa
14.471353
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5160185
LogD (pH = 7.4)
1.5168762
Log P
1.5168872
Molar Refractivity
56.0707
Polarizability
22.125666
Polar Surface Area
55.12
Rotatable Bonds
1
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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