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Chemical ID: 6145961
Chemical ID:
6145961
Name [?]:
2-methyl-3-phenyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindole
SMILES [?]:
Cc1c(c2c(n1c3cccc(c3)C(F)(F)F)CCCC2)c4ccccc4
InChi [?]:
InChI=1/C22H20F3N/c1-15-21(16-8-3-2-4-9-16)19-12-5-6-13-20(19)26(15)18-11-7-10-17(14-18)22(23,24)25/h2-4,7-11,14H,5-6,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,19,18,9,22,26,10,8,20,17,12,2,21,11,7,4,5,3,13,14,15,16,6/E:(3,4)(8,9)(23,24,25)/rA:26nCCCCCNCCCCCCCFFFCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s13;s13;s5;s17;s18;s4s19;s3;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20F3N |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3635 |
Area: | 529.755 |
Solvation: | -1.88035 |
Coulombic: | -26.8122 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 355.396 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.46 |
LogP (Chemaxon): | 6.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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