Chemical ID: 4439420

c1cc(ccc1NC(=O)c2cc(ccc2[N+](=O)[O-])Cl)I
Chemical ID:
4439420
Name [?]:
5-chloro-N-(4-iodophenyl)-2-nitro-benzamide
SMILES [?]:
c1cc(ccc1NC(=O)c2cc(ccc2[N+](=O)[O-])Cl)I
InChi [?]:
InChI=1/C13H8ClIN2O3/c14-8-1-6-12(17(19)20)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1-7H,(H,16,18)
InChi Info:
AuxInfo=1/1/N:13,2,4,1,5,14,11,12,3,6,10,15,8,19,20,7,16,9,17,18/E:(2,3)(4,5)(19,20)/CRV:17.5/rA:20nCCCCCCNCOCCCCCCN+OO-ClI/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d16;s16;s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8ClIN2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.41023
Area:493.67
Solvation:-8.93152
Coulombic:-29.7805
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:402.571
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.45
LogP (Chemaxon):4.56

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