Chemical ID: 7190160

c1cc[nH+]c(c1)N=C2NC(=O)C(S2)Cc3ccc(cc3)F
Chemical ID:
7190160
Name [?]:
5-[(4-fluorophenyl)methyl]-2-(1H-pyridin-2-ylimino)thiazolidin-4-one
SMILES [?]:
c1cc[nH+]c(c1)N=C2NC(=O)C(S2)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C15H12FN3OS/c16-11-6-4-10(5-7-11)9-12-14(20)19-15(21-12)18-13-3-1-2-8-17-13/h1-8,12H,9H2,(H,17,18,19,20)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,16,20,17,19,3,14,15,18,12,5,10,8,21,4,7,9,11,13/E:(4,5)(6,7)/rA:21cCCCN+CCNCNCOCSCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s8s12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13FN3OS+
All Atoms:34
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:-23.5407
Area:479.97
Solvation:-35.5399
Coulombic:-22.6262
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:302.348
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.33
LogP (Chemaxon):3.92

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Descriptor Annotations

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