Chemical ID: 4848092

CN1C(=O)C(=Cc2ccc(cc2)O)SC1=Nc3cccc(c3)C(=O)O
Chemical ID:
4848092
Name [?]:
3-[5-[(4-hydroxyphenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]aminobenzoic acid
SMILES [?]:
CN1C(=O)C(=Cc2ccc(cc2)O)SC1=Nc3cccc(c3)C(=O)O
InChi [?]:
InChI=1/C18H14N2O4S/c1-20-16(22)15(9-11-5-7-14(21)8-6-11)25-18(20)19-13-4-2-3-12(10-13)17(23)24/h2-10,21H,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,8,12,9,11,6,22,7,21,17,10,5,3,23,15,16,2,13,4,24,25,14/E:(5,6)(7,8)(23,24)/rA:25nCNCOCCCCCCCCOSCNCCCCCCCOO/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s10;s5;s2s14;w15;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.80868
Area:538.928
Solvation:-3.66453
Coulombic:-68.0993
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:354.381
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.44
LogP (Chemaxon):3.58

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Descriptor Annotations

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