Molecule

ID:35748

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₃
Molecular Mass
210.22976
Exact Mass
210.10044232
Charge
0
InChI
InChI=1S/C10H14N2O3/c1-14-10(13)9-6-8(15-11-9)7-12-4-2-3-5-12/h6H,2-5,7H2,1H3
InChIKey
YIWUDVCQTKIBAX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1noc(c1)CN1CCCC1
Isomeric Smiles
c1(noc(c1)CN1CCCC1)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.3381214
LogD (pH = 7.4)
0.35193074
Log P
0.79431385
Molar Refractivity
55.1145
Polarizability
20.8073
Polar Surface Area
55.57
Rotatable Bonds
4
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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