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Chemical ID: 4706836
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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