Chemical ID: 4106165

c1cc(ccc1C(=O)Nc2ccc3c(c2)OCCO3)F
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

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Descriptor Annotations

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