Molecule

ID:9780

General Information
Structure
Molecular Formula
C₁₃H₂₀N₄O₂
Molecular Mass
264.3235
Exact Mass
264.1586259
Charge
0
InChI
InChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3
InChIKey
MRWQRJMESRRJJB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCn1c(=O)c2n(C)cnc2n(c1=O)C
Isomeric Smiles
C(n1c(=O)n(C)c2ncn(C)c2c1=O)CCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6673906
LogD (pH = 7.4)
1.6673907
Log P
1.6673907
Molar Refractivity
72.9068
Polarizability
26.993443
Polar Surface Area
58.44
Rotatable Bonds
5
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
References
Bioactivity
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