Molecule

ID:117730

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁N₅O₂
Molecular Mass
267.32744
Exact Mass
267.16952494
Charge
0
InChI
InChI=1S/C12H21N5O2/c1-15-9-10(11(14-15)19-2)12(18)17-7-5-16(4-3-13)6-8-17/h9H,3-8,13H2,1-2H3
InChIKey
IECQNWIIANKLRX-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)C(=O)c1cn(nc1OC)C
Isomeric Smiles
c1(c(nn(c1)C)OC)C(=O)N1CCN(CC1)CCN
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.8270533
LogD (pH = 7.4)
-2.7540827
Log P
-0.8139797
Molar Refractivity
84.6098
Polarizability
27.665077
Polar Surface Area
76.62
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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