Chemical ID: 5354011

Cc1ccccc1N=C2NC(=O)C(=Cc3cc(ccc3Cl)[N+](=O)[O-])S2
Chemical ID:
5354011
Name [?]:
5-[(2-chloro-5-nitro-phenyl)methylene]-2-(o-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N=C2NC(=O)C(=Cc3cc(ccc3Cl)[N+](=O)[O-])S2
InChi [?]:
InChI=1/C17H12ClN3O3S/c1-10-4-2-3-5-14(10)19-17-20-16(22)15(25-17)9-11-8-12(21(23)24)6-7-13(11)18/h2-9H,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,18,19,16,14,2,15,17,20,7,13,11,9,21,8,10,22,12,23,24,25/E:(23,24)/CRV:21.5/rA:25nCCCCCCCNCNCOCCCCCCCCClN+OO-S/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s17;d22;s22;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClN3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.9545
Area:561.686
Solvation:-7.08765
Coulombic:-41.0346
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:373.814
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.71
LogP (Chemaxon):5.29

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