Molecule

ID:24511

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O
Molecular Mass
193.2456
Exact Mass
193.12151212
Charge
0
InChI
InChI=1S/C10H15N3O/c1-11-10(14)4-6-13-8-9-3-2-5-12-7-9/h2-3,5,7,13H,4,6,8H2,1H3,(H,11,14)
InChIKey
NVWNLSPWFUKHIH-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CCNCc1cccnc1
Isomeric Smiles
C(=O)(CCNCc1cnccc1)NC
Calculated Properties
JChem
Acid pKa
15.686141
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.453358
LogD (pH = 7.4)
-1.8315603
Log P
-0.5543483
Molar Refractivity
54.652
Polarizability
21.366491
Polar Surface Area
54.02
Rotatable Bonds
5
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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