Chemical ID: 6830523

Cc1cc(ccc1OC)C=C2C(=O)NC(=Nc3ccc(c(c3)C(=O)[O-])Cl)S2
Chemical ID:
6830523
Name [?]:
2-chloro-5-[5-[(4-methoxy-3-methyl-phenyl)methylene]-4-oxo-thiazolidin-2-ylidene]amino-benzoate
SMILES [?]:
Cc1cc(ccc1OC)C=C2C(=O)NC(=Nc3ccc(c(c3)C(=O)[O-])Cl)S2
InChi [?]:
InChI=1/C19H15ClN2O4S/c1-10-7-11(3-6-15(10)26-2)8-16-17(23)22-19(27-16)21-12-4-5-14(20)13(9-12)18(24)25/h3-9H,1-2H3,(H,24,25)(H,21,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,9,5,18,19,6,3,10,22,2,4,17,21,20,7,11,12,23,15,26,16,14,13,24,25,8,27/E:(24,25)/rA:27nCCCCCCCOCCCCONCNCCCCCCCOO-ClS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;s20;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14ClN2O4S-
All Atoms:41
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-28.7398
Area:590.839
Solvation:-43.5107
Coulombic:-36.4735
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:401.844
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.99
LogP (Chemaxon):4.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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