Chemical ID: 5932195

Cc1ccc(cc1)CN(Cc2cccc(c2)F)Cc3ccc(o3)C(=O)O
Chemical ID:
5932195
Name [?]:
5-[[(3-fluorophenyl)methyl-(p-tolylmethyl)amino]methyl]furan-2-carboxylic acid
SMILES [?]:
Cc1ccc(cc1)CN(Cc2cccc(c2)F)Cc3ccc(o3)C(=O)O
InChi [?]:
InChI=1/C21H20FNO3/c1-15-5-7-16(8-6-15)12-23(13-17-3-2-4-18(22)11-17)14-19-9-10-20(26-19)21(24)25/h2-11H,12-14H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,3,7,4,6,20,21,16,8,10,18,2,5,11,15,19,22,24,17,9,25,26,23/E:(5,6)(7,8)(24,25)/rA:26cCCCCCCCCNCCCCCCCFCCCCCOCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s9;s18;d19;s20;d21;s19s22;s22;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20FNO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.60585
Area:573.376
Solvation:-4.72854
Coulombic:-46.509
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.387
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.12
LogP (Chemaxon):3.98

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