Chemical ID: 6935792

Cc1cc(ccc1Br)NC(=O)c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
6935792
Name [?]:
N-(4-bromo-3-methyl-phenyl)-2-methyl-3,5-dinitro-benzamide
SMILES [?]:
Cc1cc(ccc1Br)NC(=O)c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C15H12BrN3O5/c1-8-5-10(3-4-13(8)16)17-15(20)12-6-11(18(21)22)7-14(9(12)2)19(23)24/h3-7H,1-2H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,18,5,6,3,13,15,2,17,4,14,12,7,16,10,8,9,22,19,11,23,24,20,21/E:(21,22)(23,24)/CRV:18.5,19.5/rA:24nCCCCCCCBrNCOCCCCCCCN+OO-N+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s16;d19;s19;s14;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12BrN3O5
All Atoms:36
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-0.755605
Area:529.641
Solvation:-13.9966
Coulombic:-37.95
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:394.177
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.78
LogP (Chemaxon):4.74

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