Molecule

ID:34036

General Information
Structure
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c11-8-3-1-5-12(7-8)10(13)9-4-2-6-14-9/h2,4,6,8H,1,3,5,7,11H2
InChIKey
ZWCSFKGMAJEDCW-UHFFFAOYSA-N
Canonic Smiles
NC1CCCN(C1)C(=O)c1ccco1
Isomeric Smiles
N1(C(=O)c2occc2)CC(N)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9793344
LogD (pH = 7.4)
-1.9777058
Log P
6.561367E-5
Molar Refractivity
52.4817
Polarizability
20.059406
Polar Surface Area
59.47
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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