Chemical ID: 6143046

c1cc(cc(c1)[N+](=O)[O-])C=C2C(=O)NC(=Nc3cccc(c3Cl)Cl)S2
Chemical ID:
6143046
Name [?]:
2-(2,3-dichlorophenyl)imino-5-[(3-nitrophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C=C2C(=O)NC(=Nc3cccc(c3Cl)Cl)S2
InChi [?]:
InChI=1/C16H9Cl2N3O3S/c17-11-5-2-6-12(14(11)18)19-16-20-15(22)13(25-16)8-9-3-1-4-10(7-9)21(23)24/h1-8H,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,19,2,6,20,18,4,10,3,5,21,17,11,22,12,15,24,23,16,14,7,13,8,9,25/E:(23,24)/CRV:21.5/rA:25nCCCCCCN+OO-CCCONCNCCCCCCClClS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s21;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9Cl2N3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.91858
Area:573.8
Solvation:-7.42641
Coulombic:-41.5922
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:394.232
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.11
LogP (Chemaxon):5.34

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Descriptor Annotations

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