Molecule

ID:47594

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c12-10-3-1-2-4-11(10)13-7-5-9(14)6-8-13/h1-4,9,14H,5-8,12H2
InChIKey
KHXSBUSJNPXVGY-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(CC1)c1ccccc1N
Isomeric Smiles
N1(c2c(N)cccc2)CCC(CC1)O
Calculated Properties
JChem
Acid pKa
15.17786
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.5027326
LogD (pH = 7.4)
0.5695018
Log P
0.5704233
Molar Refractivity
58.9113
Polarizability
21.705696
Polar Surface Area
49.49
Rotatable Bonds
1
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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