Chemical ID: 5606690

Cc1ccc(c(c1)Br)NC(=O)c2cccc(c2)[N+](=O)[O-]
Chemical ID:
5606690
Name [?]:
N-(2-bromo-4-methyl-phenyl)-3-nitro-benzamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2cccc(c2)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H11BrN2O3/c1-9-5-6-13(12(15)7-9)16-14(18)10-3-2-4-11(8-10)17(19)20/h2-8H,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,3,4,7,17,2,12,16,6,5,10,8,9,18,11,19,20/E:(19,20)/CRV:17.5/rA:20nCCCCCCCBrNCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11BrN2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.48882
Area:474.96
Solvation:-7.38516
Coulombic:-33.4551
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:335.153
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.0
LogP (Chemaxon):3.67

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