Molecule

ID:115608

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁N₅O₂
Molecular Mass
351.40234
Exact Mass
351.16952494
Charge
0
InChI
InChI=1S/C19H21N5O2/c1-2-22-12-15(18(25)23-10-8-20-9-11-23)17-16(13-22)19(26)24(21-17)14-6-4-3-5-7-14/h3-7,12-13,20H,2,8-11H2,1H3
InChIKey
DKKOWBICMDHPNU-UHFFFAOYSA-N
Canonic Smiles
CCn1cc(C(=O)N2CCNCC2)c2c(c1)c(=O)n(n2)c1ccccc1
Isomeric Smiles
c12c(c(C(=O)N3CCNCC3)cn(c2)CC)nn(c1=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.4532821
LogD (pH = 7.4)
0.2606465
Log P
0.8207672
Molar Refractivity
99.1329
Polarizability
37.392284
Polar Surface Area
68.25
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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