Chemical ID: 5756797

COc1cc(c(cc1OC)[N+](=O)[O-])NC(=O)c2ccccc2Cl
Chemical ID:
5756797
Name [?]:
2-chloro-N-(4,5-dimethoxy-2-nitro-phenyl)-benzamide
SMILES [?]:
COc1cc(c(cc1OC)[N+](=O)[O-])NC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C15H13ClN2O5/c1-22-13-7-11(12(18(20)21)8-14(13)23-2)17-15(19)9-5-3-4-6-10(9)16/h3-8H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,10,19,20,18,21,4,7,17,22,5,6,3,8,15,23,14,11,16,12,13,2,9/E:(20,21)/CRV:18.5/rA:23nCOCCCCCCOCN+OO-NCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s5;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN2O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:3.71657
Area:502.028
Solvation:-8.83413
Coulombic:-47.7163
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:336.727
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.59
LogP (Chemaxon):3.07

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Descriptor Annotations

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