Molecule

ID:87330

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃
Molecular Mass
175.23032
Exact Mass
175.11094743
Charge
0
InChI
InChI=1S/C10H13N3/c1-7(11)8-4-3-5-10-9(8)6-12-13(10)2/h3-7H,11H2,1-2H3
InChIKey
CRBQSTNFFQGRTO-UHFFFAOYSA-N
Canonic Smiles
CC(c1cccc2c1cnn2C)N
Isomeric Smiles
n1(c2cccc(c2cn1)C(C)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.048981
LogD (pH = 7.4)
-1.3651346
Log P
0.96232724
Molar Refractivity
64.1813
Polarizability
21.662422
Polar Surface Area
43.84
Rotatable Bonds
1
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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