Molecule

ID:64898

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O
Molecular Mass
204.26824
Exact Mass
204.12626314
Charge
0
InChI
InChI=1S/C12H16N2O/c15-12-11(7-4-8-13-12)14-9-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2,(H,13,15)/t11-/m0/s1
InChIKey
SOCKNRAACONBPT-NSHDSACASA-N
Canonic Smiles
O=C1NCCC[C@@H]1NCc1ccccc1
Isomeric Smiles
N1CCC[C@@H](C1=O)NCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.54405
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.7246003
LogD (pH = 7.4)
-0.03650421
Log P
1.0440651
Molar Refractivity
59.3958
Polarizability
23.383406
Polar Surface Area
41.13
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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