Molecule

ID:30981

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O
Molecular Mass
204.26824
Exact Mass
204.12626314
Charge
0
InChI
InChI=1S/C12H16N2O/c1-13-8-11(15)9-14-7-6-10-4-2-3-5-12(10)14/h2-7,11,13,15H,8-9H2,1H3
InChIKey
CYFIXMHPZSFQFE-UHFFFAOYSA-N
Canonic Smiles
CNCC(Cn1ccc2c1cccc2)O
Isomeric Smiles
n1(ccc2c1cccc2)CC(O)CNC
Calculated Properties
JChem
Acid pKa
14.438234
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.9018322
LogD (pH = 7.4)
-1.0126705
Log P
1.3009455
Molar Refractivity
60.7281
Polarizability
25.011396
Polar Surface Area
37.19
Rotatable Bonds
4
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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