Molecule

ID:76031

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O
Molecular Mass
193.2456
Exact Mass
193.12151212
Charge
0
InChI
InChI=1S/C10H15N3O/c1-11-6-8-5-9-10(12-7-8)13(2)3-4-14-9/h5,7,11H,3-4,6H2,1-2H3
InChIKey
SMECUBWISXUYSV-UHFFFAOYSA-N
Canonic Smiles
CNCc1cnc2c(c1)OCCN2C
Isomeric Smiles
O1CCN(c2c1cc(cn2)CNC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.4443583
LogD (pH = 7.4)
-1.1057435
Log P
0.6872274
Molar Refractivity
56.3854
Polarizability
21.247063
Polar Surface Area
37.39
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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