Molecule

ID:32197

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-13(2)11(14)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,5,8,12H2,1-2H3
InChIKey
CPXLIHMIUJEFPO-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)CCc1ccc(cc1)N)C
Isomeric Smiles
C(=O)(N(C)C)CCc1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.83211064
LogD (pH = 7.4)
0.86658835
Log P
0.86704636
Molar Refractivity
58.2826
Polarizability
21.88304
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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