Chemical ID: 6164532

c1ccc(cc1)N=C2NC(=O)C(=Cc3ccco3)S2
Chemical ID:
6164532
Name [?]:
5-(2-furylmethylene)-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3ccco3)S2
InChi [?]:
InChI=1/C14H10N2O2S/c17-13-12(9-11-7-4-8-18-11)19-14(16-13)15-10-5-2-1-3-6-10/h1-9H,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,3,5,15,17,13,4,14,12,10,8,7,9,11,18,19/E:(2,3)(5,6)/rA:19nCCCCCCNCNCOCCCCCCOS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s8s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10N2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.84965
Area:445.133
Solvation:-3.27868
Coulombic:-33.6934
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:270.307
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.79
LogP (Chemaxon):3.3

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Descriptor Annotations

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