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Chemical ID: 4976843
Chemical ID:
4976843
Name [?]:
2-(2-pyridyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
SMILES [?]:
c1ccnc(c1)c2c(c3cc(ccc3[nH]2)C(F)(F)F)C=O
InChi [?]:
InChI=1/C15H9F3N2O/c16-15(17,18)9-4-5-12-10(7-9)11(8-21)14(20-12)13-3-1-2-6-19-13/h1-8,20H
InChi Info:
AuxInfo=1/0/N:1,2,6,12,13,3,10,20,11,9,8,14,5,7,16,17,18,19,4,15,21/E:(16,17,18)/rA:21nCCCNCCCCCCCCCCNCFFFCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s11;s16;s16;s16;s8;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9F3N2O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.48011 |
Area: | 429.568 |
Solvation: | -4.2591 |
Coulombic: | -40.6271 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 290.24 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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