Chemical ID: 4703847

c1ccc2c(c1)c(cn2c3c(cc(cn3)C(F)(F)F)Cl)C=CC(=O)O
Chemical ID:
4703847
Name [?]:
3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]indol-3-yl]prop-2-enoic acid
SMILES [?]:
c1ccc2c(c1)c(cn2c3c(cc(cn3)C(F)(F)F)Cl)C=CC(=O)O
InChi [?]:
InChI=1/C17H10ClF3N2O2/c18-13-7-11(17(19,20)21)8-22-16(13)23-9-10(5-6-15(24)25)12-3-1-2-4-14(12)23/h1-9H,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,21,22,12,14,8,7,13,5,11,4,23,10,16,20,17,18,19,15,9,24,25/E:(19,20,21)(24,25)/rA:25nCCCCCCCCNCCCCCNCFFFClCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;s11;s7;w21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10ClF3N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.94966
Area:510.92
Solvation:-3.82334
Coulombic:-56.6597
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:366.721
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.87
LogP (Chemaxon):4.83

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