Chemical ID: 6553353

c1ccc(cc1)c2c(nc3ccccc3n2)NNC(=O)CCC(=O)O
Chemical ID:
6553353
Name [?]:
4-oxo-4-[N'-(3-phenylquinoxalin-2-yl)hydrazino]-butanoic acid
SMILES [?]:
c1ccc(cc1)c2c(nc3ccccc3n2)NNC(=O)CCC(=O)O
InChi [?]:
InChI=1/C18H16N4O3/c23-15(10-11-16(24)25)21-22-18-17(12-6-2-1-3-7-12)19-13-8-4-5-9-14(13)20-18/h1-9H,10-11H2,(H,20,22)(H,21,23)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,12,3,5,14,11,21,22,4,15,10,19,23,7,8,16,9,18,17,20,24,25/E:(2,3)(6,7)(24,25)/rA:25nCCCCCCCCNCCCCCCNNNCOCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s8;s17;s18;d19;s19;s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N4O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.1573
Area:551.953
Solvation:-3.64151
Coulombic:-64.634
Bond Count [?]
All:27
Single:17
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:336.345
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.2
LogP (Chemaxon):2.5

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