Molecule

ID:75923

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃
Molecular Mass
187.24102
Exact Mass
187.11094743
Charge
0
InChI
InChI=1S/C11H13N3/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10/h2-7H,8,12H2,1H3
InChIKey
ABWRSDPFKICMIH-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)c1ccn(n1)C
Isomeric Smiles
n1(ccc(n1)c1ccc(cc1)CN)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4203124
LogD (pH = 7.4)
-0.42368692
Log P
1.55995
Molar Refractivity
68.199
Polarizability
23.281523
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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