Molecule

ID:24341

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-9(13-8-7-11(12)14)10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H2,12,14)
InChIKey
HZCIUSQVJMZLEZ-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)NCCC(=O)N
Isomeric Smiles
C(=O)(CCNC(c1ccccc1)C)N
Calculated Properties
JChem
Acid pKa
16.707031
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.2458377
LogD (pH = 7.4)
-0.898696
Log P
0.8562231
Molar Refractivity
56.331
Polarizability
22.272276
Polar Surface Area
55.12
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
No Data Available
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Molecule Details
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References
Bioactivity
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