Chemical ID: 3966672

CC1CCc2cc(cc3c2n1cc(c3=O)C(=O)O)F
Chemical ID:
3966672
Name [?]:
None
SMILES [?]:
CC1CCc2cc(cc3c2n1cc(c3=O)C(=O)O)F
InChi [?]:
InChI=1/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,8,12,2,5,7,9,13,10,14,16,19,11,15,17,18/E:(18,19)/rA:19cCCCCCCCCCCNCCCOCOOF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;d12;s9s13;d14;s13;d16;s16;s7;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12FNO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:6.31181
Area:399.039
Solvation:-3.66417
Coulombic:-43.7137
Bond Count [?]
All:21
Single:15
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:261.248
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.45
LogP (Chemaxon):2.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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