Chemical ID: 6651922

c1cc(cc(c1)[N+](=O)[O-])C=NNC(=O)CNC(=O)c2cccc(c2)Cl
Chemical ID:
6651922
Name [?]:
3-chloro-N-[(3-nitrophenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C=NNC(=O)CNC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C16H13ClN4O4/c17-13-5-2-4-12(8-13)16(23)18-10-15(22)20-19-9-11-3-1-6-14(7-11)21(24)25/h1-9H,10H2,(H,18,23)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,21,2,20,22,6,4,24,10,15,3,19,23,5,13,17,25,16,11,12,7,14,18,8,9/E:(24,25)/CRV:21.5/rA:25nCCCCCCN+OO-CNNCOCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;w10;s11;s12;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClN4O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.97854
Area:590.527
Solvation:-9.78465
Coulombic:-52.1354
Bond Count [?]
All:26
Single:16
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:360.752
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.56
LogP (Chemaxon):2.64

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