Chemical ID: 7334995

CC1(c2ccccc2N(C1=CC(=O)COC(=O)c3cccc(c3)F)C)C
Chemical ID:
7334995
Name [?]:
[2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)-propyl] 3-fluorobenzoate
SMILES [?]:
CC1(c2ccccc2N(C1=CC(=O)COC(=O)c3cccc(c3)F)C)C
InChi [?]:
InChI=1/C21H20FNO3/c1-21(2)17-9-4-5-10-18(17)23(3)19(21)12-16(24)13-26-20(25)14-7-6-8-15(22)11-14/h4-12H,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,25,5,6,20,19,21,4,7,23,11,14,18,22,12,3,8,10,16,2,24,9,13,17,15/E:(1,2)/rA:26nCCCCCCCCNCCCOCOCOCCCCCCFCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;w10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s9;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20FNO3
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.27432
Area:560.315
Solvation:-4.73354
Coulombic:-37.5842
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:353.387
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.65
LogP (Chemaxon):4.46

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Descriptor Annotations

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