Chemical ID: 4976843

c1ccnc(c1)c2c(c3cc(ccc3[nH]2)C(F)(F)F)C=O
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

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Descriptor Annotations

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