Molecule

ID:127915

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₃O₂
Molecular Mass
211.26088
Exact Mass
211.1320768
Charge
0
InChI
InChI=1S/C10H17N3O2/c1-7(2)13-9(6-8(3)11-13)15-10(14)12(4)5/h6-7H,1-5H3
InChIKey
RNNBHZYEKNHLKT-UHFFFAOYSA-N
Canonic Smiles
O=C(N(C)C)Oc1cc(nn1C(C)C)C
Isomeric Smiles
O=C(Oc1cc(nn1C(C)C)C)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.115849
LogD (pH = 7.4)
1.116213
Log P
1.1162176
Molar Refractivity
67.5761
Polarizability
21.781801
Polar Surface Area
47.36
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
References
Bioactivity
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