Molecule

ID:9933

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c12-13-11(14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,12H2,(H,13,14)
InChIKey
VMFUMDXVTKTZQY-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cccc2c1cccc2
Isomeric Smiles
c1(C(=O)NN)c2c(ccc1)cccc2
Calculated Properties
JChem
Acid pKa
14.858914
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5160533
LogD (pH = 7.4)
1.5168767
Log P
1.5168872
Molar Refractivity
56.0707
Polarizability
22.128614
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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