Molecule

ID:89436

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₃O
Molecular Mass
195.26148
Exact Mass
195.13716218
Charge
0
InChI
InChI=1S/C10H17N3O/c1-6(2)4-5-8-7(3)12-10(11)13-9(8)14/h6H,4-5H2,1-3H3,(H3,11,12,13,14)
InChIKey
JYAWAWILSOXYDB-UHFFFAOYSA-N
Canonic Smiles
CC(CCc1c(C)nc(nc1O)N)C
Isomeric Smiles
n1c(nc(c(c1C)CCC(C)C)O)N
Calculated Properties
JChem
Acid pKa
13.4953985
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.4557095
LogD (pH = 7.4)
2.4560003
Log P
2.4560044
Molar Refractivity
57.6474
Polarizability
21.182966
Polar Surface Area
72.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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