Chemical ID: 4378191

c1cc(ccc1CN2C(=O)C(=Cc3ccc(cc3)OCC(=O)O)SC2=O)F
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

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Descriptor Annotations

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