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Chemical ID: 7084056
Chemical ID:
7084056
Name [?]:
4-imino-5-[(5-phenyl-2-furyl)methylene]thiazolidin-2-one
SMILES [?]:
c1ccc(cc1)c2ccc(o2)C=C3C(=N)NC(=O)S3
InChi [?]:
InChI=1/C14H10N2O2S/c15-13-12(19-14(17)16-13)8-10-6-7-11(18-10)9-4-2-1-3-5-9/h1-8H,(H2,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,8,12,4,10,7,13,14,17,15,16,18,11,19/E:(2,3)(4,5)/rA:19nCCCCCCCCCCOCCCNNCOS/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;w12;s13;w14;s14;s16;d17;s13s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10N2O2S |
All Atoms: | 29 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97512 |
Area: | 439.471 |
Solvation: | -3.01165 |
Coulombic: | -41.0777 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 270.307 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.49 |
LogP (Chemaxon): | 2.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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