Molecule

ID:68279

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c1-8(15)14-7-12(4-5-12)10-3-2-9(13)6-11(10)14/h2-3,6H,4-5,7,13H2,1H3
InChIKey
ZWPDDGOGZRNKKC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CC2(c3c1cc(N)cc3)CC2
Isomeric Smiles
C(=O)(C)N1CC2(CC2)c2ccc(cc12)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5553956
LogD (pH = 7.4)
0.56510735
Log P
0.5652326
Molar Refractivity
59.1144
Polarizability
22.250463
Polar Surface Area
46.33
Rotatable Bonds
0
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
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References
Bioactivity
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