Molecule

ID:30819

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O
Molecular Mass
204.26824
Exact Mass
204.12626314
Charge
0
InChI
InChI=1S/C12H16N2O/c13-8-10-3-5-11(6-4-10)9-14-7-1-2-12(14)15/h3-6H,1-2,7-9,13H2
InChIKey
GPTRFBASHRQLSQ-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)CN1CCCC1=O
Isomeric Smiles
N1(C(=O)CCC1)Cc1ccc(cc1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4934661
LogD (pH = 7.4)
-1.5532845
Log P
0.49430832
Molar Refractivity
60.2406
Polarizability
23.378363
Polar Surface Area
46.33
Rotatable Bonds
3
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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