Molecule

ID:33060

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-2,5,7,10,13H,3-4,6,8H2
InChIKey
CWSFHGFMFIJLDQ-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)c1nc2c(o1)cccc2
Isomeric Smiles
n1c(oc2c1cccc2)C1NCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3250242
LogD (pH = 7.4)
1.3991733
Log P
2.013703
Molar Refractivity
57.1854
Polarizability
23.851244
Polar Surface Area
38.06
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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