Chemical ID: 7140862

c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(cc3Cl)Cl)S2)C(=O)O
Chemical ID:
7140862
Name [?]:
4-[[2-(2,4-dichlorophenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]benzoic acid
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(cc3Cl)Cl)S2)C(=O)O
InChi [?]:
InChI=1/C17H10Cl2N2O3S/c18-11-5-6-13(12(19)8-11)20-17-21-15(22)14(25-17)7-9-1-3-10(4-2-9)16(23)24/h1-8H,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,15,7,18,6,3,17,19,14,8,9,23,12,21,20,13,11,10,24,25,22/E:(1,2)(3,4)(23,24)/rA:25nCCCCCCCCCONCNCCCCCCClClSCOO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s17;s8s12;s3;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10Cl2N2O3S
All Atoms:35
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.7492
Area:585.562
Solvation:-2.88982
Coulombic:-57.3907
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:393.244
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.95
LogP (Chemaxon):4.9

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Descriptor Annotations

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