Chemical ID: 7210341

c1ccc2cc(ccc2c1)c3cc(n4c(n3)cc(n4)C(=O)[O-])C(F)(F)F
Chemical ID:
7210341
Name [?]:
4-(2-naphthyl)-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene-8-carboxylate
SMILES [?]:
c1ccc2cc(ccc2c1)c3cc(n4c(n3)cc(n4)C(=O)[O-])C(F)(F)F
InChi [?]:
InChI=1/C18H10F3N3O2/c19-18(20,21)15-8-13(22-16-9-14(17(25)26)23-24(15)16)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,25,26)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,10,3,8,7,5,12,17,9,4,6,11,18,13,15,20,23,24,25,26,16,19,14,21,22/E:(19,20,21)(25,26)/rA:26nCCCCCCCCCCCCCNCNCCNCOO-CFFF/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s13;s14;d11s15;d15;s17;s14d18;s18;d20;s20;s13;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H9F3N3O2-
All Atoms:35
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-31.4225
Area:517.202
Solvation:-44.3525
Coulombic:-33.7009
Bond Count [?]
All:29
Single:19
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:356.278
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.42
LogP (Chemaxon):4.57

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Descriptor Annotations

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