Molecule

ID:40695

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c13-8-9-2-1-3-11-10(9)12-4-6-14-7-5-12/h1-3,8H,4-7H2
InChIKey
CCPVZIBHRFCNTR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccnc1N1CCOCC1
Isomeric Smiles
c1(N2CCOCC2)c(C=O)cccn1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.74081844
LogD (pH = 7.4)
0.94859296
Log P
0.9520767
Molar Refractivity
54.3017
Polarizability
19.812277
Polar Surface Area
42.43
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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