Molecule

ID:129351

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O
Molecular Mass
193.2456
Exact Mass
193.12151212
Charge
0
InChI
InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3
InChIKey
IQWCBYSUUOFOMF-UHFFFAOYSA-N
Canonic Smiles
CO/N=C(/C1CN2CCC1CC2)\C#N
Isomeric Smiles
C1CC2CCN1CC2/C(=N/OC)/C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.2659009
LogD (pH = 7.4)
0.48907027
Log P
1.1339495
Molar Refractivity
53.6623
Polarizability
20.489714
Polar Surface Area
48.62
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
No Data Available
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Molecule Details
References
Bioactivity
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