Chemical ID: 5843766

c1ccc(c(c1)[N+](=O)[O-])OCC(=O)NN=Cc2ccc(cc2)Cl
Chemical ID:
5843766
Name [?]:
N-[(4-chlorophenyl)methyleneamino]-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
c1ccc(c(c1)[N+](=O)[O-])OCC(=O)NN=Cc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H12ClN3O4/c16-12-7-5-11(6-8-12)9-17-18-15(20)10-23-14-4-2-1-3-13(14)19(21)22/h1-9H,10H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,22,19,21,16,11,17,20,5,4,12,23,15,14,7,13,8,9,10/E:(5,6)(7,8)(21,22)/CRV:19.5/rA:23nCCCCCCN+OO-OCCONNCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClN3O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-0.218797
Area:538.086
Solvation:-13.671
Coulombic:-34.9903
Bond Count [?]
All:24
Single:15
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:333.726
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.07
LogP (Chemaxon):3.49

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