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Chemical ID: 7301144
Chemical ID:
7301144
Name [?]:
N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-2-[(4-fluorophenyl)methoxy]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc3c(c2)OCCO3)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C22H18FNO4/c23-16-7-5-15(6-8-16)14-28-19-4-2-1-3-18(19)22(25)24-17-9-10-20-21(13-17)27-12-11-26-20/h1-10,13H,11-12,14H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,23,27,24,26,11,12,18,17,15,21,22,25,10,5,4,13,14,7,28,9,8,19,16,20/E:(5,6)(7,8)/rA:28nCCCCCCCONCCCCCCOCCOOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;s13s18;s4;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18FNO4 |
All Atoms: | 46 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.13096 |
Area: | 583.577 |
Solvation: | -6.45847 |
Coulombic: | -49.1428 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 379.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.4 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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