Molecule

ID:34817

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃N₃
Molecular Mass
223.27312
Exact Mass
223.11094743
Charge
0
InChI
InChI=1S/C14H13N3/c15-14-16-12-8-4-5-9-13(12)17(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,15,16)
InChIKey
LXIDSOCBAAMGJX-UHFFFAOYSA-N
Canonic Smiles
Nc1nc2c(n1Cc1ccccc1)cccc2
Isomeric Smiles
c1(n(c2c(n1)cccc2)Cc1ccccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6753153
LogD (pH = 7.4)
2.4947233
Log P
3.0629773
Molar Refractivity
68.6515
Polarizability
27.20538
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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