Molecule

ID:72934

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1
InChIKey
ANJTVLIZGCUXLD-DTWKUNHWSA-N
Canonic Smiles
O=c1cccc2n1C[C@H]1CNC[C@@H]2C1
Isomeric Smiles
c12n(c(=O)ccc1)C[C@H]1CNC[C@@H]2C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4873016
LogD (pH = 7.4)
-2.6434913
Log P
-0.2798536
Molar Refractivity
56.9283
Polarizability
21.054716
Polar Surface Area
32.34
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
References
Bioactivity
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