Molecule

ID:92945

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c13-8-9-1-2-11-10(7-9)12-3-5-14-6-4-12/h1-2,7-8H,3-6H2
InChIKey
VMFCHBZYIHUMQE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccnc(c1)N1CCOCC1
Isomeric Smiles
n1c(cc(cc1)C=O)N1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.91619426
LogD (pH = 7.4)
0.95160466
Log P
0.9520767
Molar Refractivity
54.3017
Polarizability
19.811537
Polar Surface Area
42.43
Rotatable Bonds
2
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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