Chemical ID: 7204526

C(CC(=O)[O-])C(=O)NNC(=O)CC#N
Chemical ID:
7204526
Name [?]:
4-[N'-(2-cyanoacetyl)hydrazino]-4-oxo-butanoate
SMILES [?]:
C(CC(=O)[O-])C(=O)NNC(=O)CC#N
InChi [?]:
InChI=1/C7H9N3O4/c8-4-3-6(12)10-9-5(11)1-2-7(13)14/h1-3H2,(H,9,11)(H,10,12)(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,12,13,6,10,3,14,8,9,7,11,4,5/E:(13,14)/rA:14nCCCOO-CONNCOCCN/rB:s1;s2;d3;s3;s1;d6;s6;s8;s9;d10;s10;s12;t13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8N3O4-
All Atoms:22
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-35.4877
Area:399.869
Solvation:-45.4844
Coulombic:-33.3989
Bond Count [?]
All:13
Single:9
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:198.156
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:-1.63
LogP (Chemaxon):-1.42

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