Chemical ID: 5797699

c1cc2ccc(cc2nc1)C=NNC(=O)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
5797699
Name [?]:
4-nitro-N-(7-quinolylmethyleneamino)benzamide
SMILES [?]:
c1cc2ccc(cc2nc1)C=NNC(=O)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H12N4O3/c22-17(14-5-7-15(8-6-14)21(23)24)20-19-11-12-3-4-13-2-1-9-18-16(13)10-12/h1-11H,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,17,21,18,20,10,7,11,6,3,16,19,8,14,9,12,13,22,15,23,24/E:(5,6)(7,8)(23,24)/CRV:21.5/rA:24nCCCCCCCCNCCNNCOCCCCCCN+OO-/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s6;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12N4O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:3.67356
Area:514.341
Solvation:-9.18497
Coulombic:-35.8145
Bond Count [?]
All:26
Single:15
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:320.302
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.87
LogP (Chemaxon):3.29

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