Molecule

ID:87470

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃
Molecular Mass
175.23032
Exact Mass
175.11094743
Charge
0
InChI
InChI=1S/C10H13N3/c1-13-7-9-6-8(4-5-11)2-3-10(9)12-13/h2-3,6-7H,4-5,11H2,1H3
InChIKey
OTXQXCVAGCEKLF-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc2c(c1)cn(n2)C
Isomeric Smiles
n1(C)cc2cc(ccc2n1)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8174148
LogD (pH = 7.4)
-1.0894072
Log P
1.1908627
Molar Refractivity
64.268
Polarizability
21.590197
Polar Surface Area
43.84
Rotatable Bonds
2
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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