Molecule

ID:129014

General Information
Structure
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-12(2,3)11(15)14-13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)
InChIKey
FWWDFDMCZLOXQI-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)NNCc1ccccc1
Isomeric Smiles
CC(C)(C)C(=O)NNCc1ccccc1
Calculated Properties
JChem
Acid pKa
12.913331
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.4141693
LogD (pH = 7.4)
2.4208345
Log P
2.4209216
Molar Refractivity
71.5925
Polarizability
24.015251
Polar Surface Area
41.13
Rotatable Bonds
4
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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