Molecule

ID:67162

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁N₃O
Molecular Mass
153.18174
Exact Mass
153.09021199
Charge
0
InChI
InChI=1S/C7H11N3O/c1-2-5-11-7-4-3-6(8)9-10-7/h3-4H,2,5H2,1H3,(H2,8,9)
InChIKey
YXEDABZQSZKQKZ-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(nn1)N
Isomeric Smiles
c1(ccc(nn1)OCCC)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.8556981
LogD (pH = 7.4)
0.8574295
Log P
0.8574516
Molar Refractivity
44.8276
Polarizability
15.903288
Polar Surface Area
61.03
Rotatable Bonds
3
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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