Chemical ID: 7084056

c1ccc(cc1)c2ccc(o2)C=C3C(=N)NC(=O)S3
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

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Descriptor Annotations

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