Chemical ID: 3967565

COc1ccc(cc1)c2c(onc2c3ccc(cc3)OC)CC(=O)O
Chemical ID:
3967565
Name [?]:
2-[3,4-bis(4-methoxyphenyl)isoxazol-5-yl]acetic acid
SMILES [?]:
COc1ccc(cc1)c2c(onc2c3ccc(cc3)OC)CC(=O)O
InChi [?]:
InChI=1/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,5,7,15,19,4,8,16,18,22,6,14,3,17,10,23,9,13,12,24,25,2,20,11/E:(3,4)(5,6)(7,8)(9,10)(21,22)/rA:25nCOCCCCCCCCONCCCCCCCOCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s13;s14;d15;s16;d17;d14s18;s17;s20;s10;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.51814
Area:538.931
Solvation:-5.95514
Coulombic:-44.24
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:339.342
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.73
LogP (Chemaxon):3.21

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