Molecule

ID:101538

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃
Molecular Mass
187.24102
Exact Mass
187.11094743
Charge
0
InChI
InChI=1S/C11H13N3/c1-12-9-11-13-7-8-14(11)10-5-3-2-4-6-10/h2-8,12H,9H2,1H3
InChIKey
IZYNHWOVGJNYQF-UHFFFAOYSA-N
Canonic Smiles
CNCc1nccn1c1ccccc1
Isomeric Smiles
n1(c(ncc1)CNC)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4368436
LogD (pH = 7.4)
0.31640175
Log P
1.0489
Molar Refractivity
66.5814
Polarizability
22.664005
Polar Surface Area
29.85
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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