Chemical ID: 4226076

CCOc1ccc(cc1Cl)C(=O)Nc2ccccc2[N+](=O)[O-]
Chemical ID:
4226076
Name [?]:
3-chloro-4-ethoxy-N-(2-nitrophenyl)-benzamide
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2ccccc2[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13ClN2O4/c1-2-22-14-8-7-10(9-11(14)16)15(19)17-12-5-3-4-6-13(12)18(20)21/h3-9H,2H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,15,18,6,5,8,7,9,14,19,4,11,10,13,20,12,21,22,3/E:(20,21)/CRV:18.5/rA:22nCCOCCCCCCClCONCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.42993
Area:506.158
Solvation:-7.22403
Coulombic:-43.4515
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:320.728
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.37
LogP (Chemaxon):3.66

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Descriptor Annotations

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