Chemical ID: 5274507

c1ccc(c(c1)COc2ccc3c(c2)OC(=Cc4ccc(cc4)[N+](=O)[O-])C3=O)F
Chemical ID:
5274507
Name [?]:
6-[(2-fluorophenyl)methoxy]-2-[(4-nitrophenyl)methylene]benzofuran-3-one
SMILES [?]:
c1ccc(c(c1)COc2ccc3c(c2)OC(=Cc4ccc(cc4)[N+](=O)[O-])C3=O)F
InChi [?]:
InChI=1/C22H14FNO5/c23-19-4-2-1-3-15(19)13-28-17-9-10-18-20(12-17)29-21(22(18)25)11-14-5-7-16(8-6-14)24(26)27/h1-12H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,19,23,20,22,10,11,17,14,7,18,5,21,9,12,4,13,16,27,29,24,28,25,26,8,15/E:(5,6)(7,8)(26,27)/CRV:24.5/rA:29nCCCCCCCOCCCCCCOCCCCCCCCN+OO-COF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;s12s16;d27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H14FNO5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:6.27693
Area:609.354
Solvation:-8.95691
Coulombic:-43.0477
Bond Count [?]
All:32
Single:20
Double:12
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:391.349
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.19
LogP (Chemaxon):4.95

Name Annotations

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Descriptor Annotations

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