Chemical ID: 6476589

Cc1cc2c(n1CCC(=O)O)CC(CC2=O)(C)C
Chemical ID:
6476589
Name [?]:
3-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)propanoic acid
SMILES [?]:
Cc1cc2c(n1CCC(=O)O)CC(CC2=O)(C)C
InChi [?]:
InChI=1/C14H19NO3/c1-9-6-10-11(15(9)5-4-13(17)18)7-14(2,3)8-12(10)16/h6H,4-5,7-8H2,1-3H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,18,8,7,3,12,14,2,4,5,15,9,13,6,16,10,11/E:(2,3)(17,18)/rA:18nCCCCCNCCCOOCCCCOCC/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s9;s5;s12;s13;s4s14;d15;s13;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.00661
Area:438.039
Solvation:-2.94436
Coulombic:-38.3832
Bond Count [?]
All:19
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:249.306
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.82
LogP (Chemaxon):1.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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