Molecule

ID:24424

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-12-11(14)7-8-13-9-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3,(H,12,14)
InChIKey
KQCWGCBBBFZBCI-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CCNCc1ccccc1
Isomeric Smiles
C(=O)(CCNCc1ccccc1)NC
Calculated Properties
JChem
Acid pKa
16.266695
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.4144814
LogD (pH = 7.4)
-1.0132765
Log P
0.6633241
Molar Refractivity
56.8089
Polarizability
22.272726
Polar Surface Area
41.13
Rotatable Bonds
5
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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