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Chemical ID: 4106165
Chemical ID:
4106165
Name [?]:
N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-4-fluoro-benzamide
SMILES [?]:
c1cc(ccc1C(=O)Nc2ccc3c(c2)OCCO3)F
InChi [?]:
InChI=1/C15H12FNO3/c16-11-3-1-10(2-4-11)15(18)17-12-5-6-13-14(9-12)20-8-7-19-13/h1-6,9H,7-8H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,12,18,17,15,6,3,10,13,14,7,20,9,8,19,16/E:(1,2)(3,4)/rA:20nCCCCCCCONCCCCCCOCCOF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;s13s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12FNO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.75362 |
Area: | 440.597 |
Solvation: | -4.26129 |
Coulombic: | -41.3851 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 273.259 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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