Chemical ID: 6164536

c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)C(=O)O)S2
Chemical ID:
6164536
Name [?]:
4-[(4-oxo-2-phenylimino-thiazolidin-5-ylidene)methyl]benzoic acid
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)C(=O)O)S2
InChi [?]:
InChI=1/C17H12N2O3S/c20-15-14(10-11-6-8-12(9-7-11)16(21)22)23-17(19-15)18-13-4-2-1-3-5-13/h1-10H,(H,21,22)(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,19,16,18,13,14,17,4,12,10,20,8,7,9,11,21,22,23/E:(2,3)(4,5)(6,7)(8,9)(21,22)/rA:23nCCCCCCNCNCOCCCCCCCCCOOS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12N2O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2526
Area:517.559
Solvation:-2.68636
Coulombic:-57.3704
Bond Count [?]
All:25
Single:15
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:324.355
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.71
LogP (Chemaxon):3.42

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