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Chemical ID: 5797699
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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