Molecule

ID:48519

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O
Molecular Mass
193.2456
Exact Mass
193.12151212
Charge
0
InChI
InChI=1S/C10H15N3O/c11-9-2-1-5-12-10(9)13-6-3-8(14)4-7-13/h1-2,5,8,14H,3-4,6-7,11H2
InChIKey
RHVPVIHKAXXDOR-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(CC1)c1ncccc1N
Isomeric Smiles
N1(c2ncccc2N)CCC(CC1)O
Calculated Properties
JChem
Acid pKa
15.177713
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.2626742
LogD (pH = 7.4)
-0.19406712
Log P
-0.052791584
Molar Refractivity
57.0679
Polarizability
20.811666
Polar Surface Area
62.38
Rotatable Bonds
1
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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