Chemical ID: 6283018

c1cc(ccc1c2nnc(o2)NC(=O)c3cc(ccc3[N+](=O)[O-])Cl)Cl
Chemical ID:
6283018
Name [?]:
5-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-nitro-benzamide
SMILES [?]:
c1cc(ccc1c2nnc(o2)NC(=O)c3cc(ccc3[N+](=O)[O-])Cl)Cl
InChi [?]:
InChI=1/C15H8Cl2N4O4/c16-9-3-1-8(2-4-9)14-19-20-15(25-14)18-13(22)11-7-10(17)5-6-12(11)21(23)24/h1-7H,(H,18,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,18,19,16,6,3,17,15,20,13,7,10,25,24,12,8,9,21,14,22,23,11/E:(1,2)(3,4)(23,24)/CRV:21.5/rA:25nCCCCCCCNNCONCOCCCCCCN+OO-ClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s21;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H8Cl2N4O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.34527
Area:568.471
Solvation:-9.8665
Coulombic:-44.7484
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:379.154
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.37
LogP (Chemaxon):3.86

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Descriptor Annotations

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