Chemical ID: 6452730

C(CC(=O)O)C(=O)NNC(=O)CC#N
Chemical ID:
6452730
Name [?]:
4-[N'-(2-cyanoacetyl)hydrazino]-4-oxo-butanoic acid
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)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,6,10,3,14,8,9,7,11,4,5/E:(13,14)/rA:14nCCCOOCONNCOCCN/rB:s1;s2;d3;s3;s1;d6;s6;s8;s9;d10;s10;s12;t13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H9N3O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.84965
Area:402.047
Solvation:-5.20152
Coulombic:-58.8192
Bond Count [?]
All:13
Single:9
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:199.164
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:-1.15
LogP (Chemaxon):-1.42

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