Chemical ID: 7140044

c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(cc3)O)S2)Br
Chemical ID:
7140044
Name [?]:
2-(2-bromophenyl)imino-5-[(4-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(cc3)O)S2)Br
InChi [?]:
InChI=1/C16H11BrN2O2S/c17-12-3-1-2-4-13(12)18-16-19-15(21)14(22-16)9-10-5-7-11(20)8-6-10/h1-9,20H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,19,16,18,13,14,17,4,5,12,10,8,22,7,9,20,11,21/E:(5,6)(7,8)/rA:22nCCCCCCNCNCOCCCCCCCCOSBr/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11BrN2O2S
All Atoms:33
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0024
Area:510.735
Solvation:-2.76599
Coulombic:-45.809
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:375.241
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.48
LogP (Chemaxon):4.86

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