Molecule

ID:22935

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-3-5-11(14)13-10-7-4-6-9(12)8(10)2/h4,6-7H,3,5,12H2,1-2H3,(H,13,14)
InChIKey
VPMRTJWYEAOSPM-UHFFFAOYSA-N
Canonic Smiles
Cc1c(NC(=O)CCC)cccc1N
Isomeric Smiles
c1(c(NC(=O)CCC)cccc1N)C
Calculated Properties
JChem
Acid pKa
14.296261
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0283408
LogD (pH = 7.4)
2.0404
Log P
2.0405562
Molar Refractivity
59.8905
Polarizability
21.794943
Polar Surface Area
55.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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