Molecule

ID:129015

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉N₅O₂
Molecular Mass
325.36506
Exact Mass
325.15387487
Charge
0
InChI
InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2
InChIKey
PEZPMAYDXJQYRV-UHFFFAOYSA-N
Canonic Smiles
NCCNc1ccc(c2c1C(=O)c1cnccc1C2=O)NCCN
Isomeric Smiles
O=C1c2c(C(=O)c3c(ccc(NCCN)c13)NCCN)cncc2
Calculated Properties
JChem
H Acceptors
7
H Donor
4
LogD (pH = 5.5)
-5.5505505
LogD (pH = 7.4)
-3.2421615
Log P
0.35262227
Molar Refractivity
95.2813
Polarizability
35.108128
Polar Surface Area
123.13
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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