Molecule

ID:101744

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c14-9-10-5-4-6-12-11(10)13-7-2-1-3-8-13/h4-6,14H,1-3,7-9H2
InChIKey
HGYMJKQSUHUNAO-UHFFFAOYSA-N
Canonic Smiles
OCc1cccnc1N1CCCCC1
Isomeric Smiles
c1(N2CCCCC2)c(CO)cccn1
Calculated Properties
JChem
Acid pKa
14.647413
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9016141
LogD (pH = 7.4)
1.5209079
Log P
1.5410911
Molar Refractivity
57.6011
Polarizability
21.500813
Polar Surface Area
36.36
Rotatable Bonds
2
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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