Molecule

ID:103966

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₄O₂
Molecular Mass
250.29692
Exact Mass
250.14297584
Charge
0
InChI
InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3
InChIKey
QVAYTZAGDQIWMB-UHFFFAOYSA-N
Canonic Smiles
CCCn1c(=O)n(CCC)c2c(c1=O)n(C)cn2
Isomeric Smiles
CCCn1c(=O)n(CCC)c2c(n(C)cn2)c1=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.213015
LogD (pH = 7.4)
1.2130151
Log P
1.2130151
Molar Refractivity
68.3764
Polarizability
25.163101
Polar Surface Area
58.44
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
References
Bioactivity
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