Chemical ID: 4143972

CC1COc2c3n1cc(c(=O)c3cc(c2F)F)C(=O)O
Chemical ID:
4143972
Name [?]:
None
SMILES [?]:
CC1COc2c3n1cc(c(=O)c3cc(c2F)F)C(=O)O
InChi [?]:
InChI=1/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,13,8,3,2,12,9,14,15,6,10,5,18,17,16,7,11,19,20,4/E:(18,19)/rA:20cCCCOCCNCCCOCCCCFFCOO/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s9;d10;d6s10;s12;d13;d5s14;s15;s14;s9;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9F2NO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:4.26123
Area:403.467
Solvation:-5.82543
Coulombic:-54.219
Bond Count [?]
All:22
Single:16
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:281.212
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.11
LogP (Chemaxon):2.02

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