Molecule

ID:115607

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉N₅O₂
Molecular Mass
337.37576
Exact Mass
337.15387487
Charge
0
InChI
InChI=1S/C18H19N5O2/c1-21-11-14(17(24)22-9-7-19-8-10-22)16-15(12-21)18(25)23(20-16)13-5-3-2-4-6-13/h2-6,11-12,19H,7-10H2,1H3
InChIKey
CFLGUGAGTDEXFJ-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(C(=O)N2CCNCC2)c2c(c1)c(=O)n(n2)c1ccccc1
Isomeric Smiles
c12c(c(C(=O)N3CCNCC3)cn(c2)C)nn(c1=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.8100756
LogD (pH = 7.4)
-0.09616128
Log P
0.4639593
Molar Refractivity
94.3843
Polarizability
35.553875
Polar Surface Area
68.25
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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