Molecule

ID:24824

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃
Molecular Mass
187.24102
Exact Mass
187.11094743
Charge
0
InChI
InChI=1S/C11H13N3/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-7H,8-9,12H2
InChIKey
WAKASDKZDPCQPA-UHFFFAOYSA-N
Canonic Smiles
NCc1nccn1Cc1ccccc1
Isomeric Smiles
n1(c(ncc1)CN)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4343737
LogD (pH = 7.4)
0.21428652
Log P
1.0018599
Molar Refractivity
56.3225
Polarizability
21.877861
Polar Surface Area
43.84
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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