Chemical ID: 4706836

c1ccc2c(c1)C(C(=O)N2)c3c(cc(cn3)C(F)(F)F)Cl
Chemical ID:
4706836
Name [?]:
3-[3-chloro-5-(trifluoromethyl)-2-pyridyl]indolin-2-one
SMILES [?]:
c1ccc2c(c1)C(C(=O)N2)c3c(cc(cn3)C(F)(F)F)Cl
InChi [?]:
InChI=1/C14H8ClF3N2O/c15-9-5-7(14(16,17)18)6-19-12(9)11-8-3-1-2-4-10(8)20-13(11)21/h1-6,11H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,15,14,5,12,4,7,11,8,17,21,18,19,20,16,10,9/E:(16,17,18)/rA:21cCCCCCCCCONCCCCCNCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s4s8;s7;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8ClF3N2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.10424
Area:447.951
Solvation:-3.09454
Coulombic:-43.738
Bond Count [?]
All:23
Single:16
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:312.674
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.83
LogP (Chemaxon):3.44

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