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Chemical ID: 7136239
Chemical ID:
7136239
Name [?]:
5-[(3-bromophenyl)methylene]-2-(4-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)Br)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C16H11BrN2O2S/c17-11-3-1-2-10(8-11)9-14-15(21)19-16(22-14)18-12-4-6-13(20)7-5-12/h1-9,20H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,20,17,19,4,8,3,5,15,18,9,10,13,7,14,12,21,11,22/E:(4,5)(6,7)/rA:22nCCCCCCBrCCCONCNCCCCCCOS/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11BrN2O2S |
All Atoms: | 33 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88484 |
Area: | 504.802 |
Solvation: | -2.73522 |
Coulombic: | -45.4309 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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