Chemical ID: 6477883

Cc1cc2c(n1c3ccc(cc3)C(=O)O)CC(CC2=O)(C)C
Chemical ID:
6477883
Name [?]:
4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzoic acid
SMILES [?]:
Cc1cc2c(n1c3ccc(cc3)C(=O)O)CC(CC2=O)(C)C
InChi [?]:
InChI=1/C18H19NO3/c1-11-8-14-15(9-18(2,3)10-16(14)20)19(11)13-6-4-12(5-7-13)17(21)22/h4-8H,9-10H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,22,9,11,8,12,3,16,18,2,10,7,4,5,19,13,17,6,20,14,15/E:(2,3)(4,5)(6,7)(21,22)/rA:22nCCCCCNCCCCCCCOOCCCCOCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s5;s16;s17;s4s18;d19;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.36296
Area:486.782
Solvation:-2.8066
Coulombic:-40.853
Bond Count [?]
All:24
Single:17
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:297.348
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.46
LogP (Chemaxon):2.52

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Descriptor Annotations

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