Chemical ID: 4726261

CCOC(=O)C(C(=O)N1CCc2c1cccc2)C(=O)OCC
Chemical ID:
4726261
Name [?]:
diethyl 2-indolin-1-ylcarbonylpropanedioate
SMILES [?]:
CCOC(=O)C(C(=O)N1CCc2c1cccc2)C(=O)OCC
InChi [?]:
InChI=1/C16H19NO5/c1-3-21-15(19)13(16(20)22-4-2)14(18)17-10-9-11-7-5-6-8-12(11)17/h5-8,13H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,21,16,15,17,14,11,10,12,13,6,7,4,18,9,8,5,19,3,20/E:(1,2)(3,4)(15,16)(19,20)(21,22)/rA:22nCCOCOCCONCCCCCCCCCOOCC/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;s10;s11;s9s12;d13;s14;d15;d12s16;s6;d18;s18;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.11979
Area:498.58
Solvation:-4.34471
Coulombic:-50.6358
Bond Count [?]
All:23
Single:17
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:305.326
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.03
LogP (Chemaxon):1.53

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Descriptor Annotations

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