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Chemical ID: 4378191
Chemical ID:
4378191
Name [?]:
2-[4-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
SMILES [?]:
c1cc(ccc1CN2C(=O)C(=Cc3ccc(cc3)OCC(=O)O)SC2=O)F
InChi [?]:
InChI=1/C19H14FNO5S/c20-14-5-1-13(2-6-14)10-21-18(24)16(27-19(21)25)9-12-3-7-15(8-4-12)26-11-17(22)23/h1-9H,10-11H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,14,18,2,4,15,17,12,7,20,13,6,3,16,11,21,9,25,27,8,22,23,10,26,19,24/E:(1,2)(3,4)(5,6)(7,8)(22,23)/rA:27nCCCCCCCNCOCCCCCCCCOCCOOSCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s21;s11;s8s24;d25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14FNO5S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.45183 |
Area: | 570.991 |
Solvation: | -5.82294 |
Coulombic: | -66.6537 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 387.383 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.74 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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