Chemical ID: 4513319

c1ccc(c(c1)NC(=O)c2cc(ccc2O)Cl)[N+](=O)[O-]
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

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