Molecule

ID:65998

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₄O₂
Molecular Mass
222.24376
Exact Mass
222.11167571
Charge
0
InChI
InChI=1S/C10H14N4O2/c1-16-9(15)8-6-12-10(13-7-8)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3
InChIKey
VJGHOGNHILBYCU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(nc1)N1CCNCC1
Isomeric Smiles
c1(ncc(C(=O)OC)cn1)N1CCNCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.5930943
LogD (pH = 7.4)
-0.9726632
Log P
0.30411395
Molar Refractivity
59.8776
Polarizability
22.310743
Polar Surface Area
67.35
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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