Molecule

ID:23451

General Information
Structure
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-3-8(2)13-11(14)9-4-6-10(12)7-5-9/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKey
RTELBMMPQVGHFB-UHFFFAOYSA-N
Canonic Smiles
CCC(NC(=O)c1ccc(cc1)N)C
Isomeric Smiles
C(=O)(NC(CC)C)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
15.858328
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5105643
LogD (pH = 7.4)
1.5144913
Log P
1.5145416
Molar Refractivity
58.4249
Polarizability
21.663294
Polar Surface Area
55.12
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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