Molecule

ID:118042

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇N₃
Molecular Mass
215.29418
Exact Mass
215.14224756
Charge
0
InChI
InChI=1S/C13H17N3/c1-10-7-13(8-14)11(2)16(10)9-12-3-5-15-6-4-12/h3-7H,8-9,14H2,1-2H3
InChIKey
MAINEAWAMRRUIA-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(n(c1C)Cc1ccncc1)C
Isomeric Smiles
n1(c(c(cc1C)CN)C)Cc1ccncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9761646
LogD (pH = 7.4)
-0.82895255
Log P
1.3084978
Molar Refractivity
66.942
Polarizability
25.399508
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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