Molecule

ID:105450

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O
Molecular Mass
162.1885
Exact Mass
162.07931295
Charge
0
InChI
InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
InChIKey
CMCWWLVWPDLCRM-UHFFFAOYSA-N
Canonic Smiles
OC1=NN(CC1)c1ccccc1
Isomeric Smiles
OC1=NN(CC1)c1ccccc1
Calculated Properties
JChem
Acid pKa
7.1765623
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8641433
LogD (pH = 7.4)
1.4487904
Log P
1.8767768
Molar Refractivity
56.6138
Polarizability
17.418623
Polar Surface Area
35.83
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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