Chemical ID: 6969388

Cc1c(cccc1Cl)NC(=O)COc2ccc(cc2)[N+](=O)[O-]
Chemical ID:
6969388
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2-(4-nitrophenoxy)-acetamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)COc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13ClN2O4/c1-10-13(16)3-2-4-14(10)17-15(19)9-22-12-7-5-11(6-8-12)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,16,18,15,19,12,2,17,14,7,3,10,8,9,20,11,21,22,13/E:(5,6)(7,8)(20,21)/CRV:18.5/rA:22nCCCCCCCClNCOCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN2O4
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:3.15207
Area:519.653
Solvation:-9.83925
Coulombic:-39.0039
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:3.29
LogP (Chemaxon):3.16

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