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Chemical ID: 4513319
Chemical ID:
4513319
Name [?]:
5-chloro-2-hydroxy-N-(2-nitrophenyl)-benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2cc(ccc2O)Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H9ClN2O4/c14-8-5-6-12(17)9(7-8)13(18)15-10-3-1-2-4-11(10)16(19)20/h1-7,17H,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,14,11,12,10,5,4,15,8,17,7,18,16,9,19,20/E:(19,20)/CRV:16.5/rA:20nCCCCCCNCOCCCCCCOClN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s12;s4;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9ClN2O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.37649 |
Area: | 457.202 |
Solvation: | -7.05355 |
Coulombic: | -51.3579 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 292.674 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.05 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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