Molecule

ID:53189

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O
Molecular Mass
162.1885
Exact Mass
162.07931295
Charge
0
InChI
InChI=1S/C9H10N2O/c12-6-8-4-3-7-2-1-5-10-9(7)11-8/h3-4,6H,1-2,5H2,(H,10,11)
InChIKey
GJAACFNQDNFJNX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(n1)NCCC2
Isomeric Smiles
C1CNc2c(C1)ccc(n2)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4435617
LogD (pH = 7.4)
1.6900238
Log P
1.6943116
Molar Refractivity
48.5178
Polarizability
17.190422
Polar Surface Area
41.99
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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