Chemical ID: 5727508

c1ccc2c(c1)c(n[nH]c2=O)c3ccc(c(c3)N(=O)=O)N4CCN(CC4)CCO
Chemical ID:
5727508
Name [?]:
4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitro-phenyl]-2H-phthalazin-1-one
SMILES [?]:
c1ccc2c(c1)c(n[nH]c2=O)c3ccc(c(c3)N(=O)=O)N4CCN(CC4)CCO
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21N5O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:4.00224
Area:590.87
Solvation:-10.7695
Coulombic:-58.5951
Bond Count [?]
All:32
Single:22
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:395.412
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.86
LogP (Chemaxon):2.52

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue