Molecule
ID:21480
General Information
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-2-3-7-13-11(14)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7,12H2,1H3,(H,13,14)
InChIKey
KHNPBDZUBXOTRQ-UHFFFAOYSA-N
Canonic Smiles
CCCCNC(=O)c1cccc(c1)N
Isomeric Smiles
C(=O)(c1cc(N)ccc1)NCCCC
Calculated Properties
JChem
Acid pKa
15.14995
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5396425
LogD (pH = 7.4)
1.5424987
Log P
1.5425352
Molar Refractivity
58.6071
Polarizability
21.664173
Polar Surface Area
55.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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