Chemical ID: 6737461

c1cc(c(c(c1)F)N2C(=O)C3C4CC(C3C2=O)C=C4)F
Chemical ID:
6737461
Name [?]:
None
SMILES [?]:
c1cc(c(c(c1)F)N2C(=O)C3C4CC(C3C2=O)C=C4)F
InChi [?]:
InChI=1/C15H11F2NO2/c16-9-2-1-3-10(17)13(9)18-14(19)11-7-4-5-8(6-7)12(11)15(18)20/h1-5,7-8,11-12H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,18,19,13,14,12,3,5,15,11,4,16,9,20,7,8,17,10/E:(2,3)(4,5)(7,8)(9,10)(11,12)(14,15)(16,17)(19,20)/rA:20cCCCCCCFNCOCCCCCCOCCF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;s9;s11;s12;s13;s11s14;s8s15;d16;s14;s12d18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11F2NO2
All Atoms:31
Heavy Atoms:20
Chiral Atoms:4
ZAP Information [?]
Total:6.20111
Area:401.303
Solvation:-3.83146
Coulombic:-31.967
Bond Count [?]
All:23
Single:17
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:275.25
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.03
LogP (Chemaxon):2.05

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Descriptor Annotations

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