Chemical ID: 7065545

Cc1cccc(c1)n2c(cc3c2CC(CC3=O)(C)C)C
Chemical ID:
7065545
Name [?]:
2,6,6-trimethyl-1-(m-tolyl)-5,7-dihydroindol-4-one
SMILES [?]:
Cc1cccc(c1)n2c(cc3c2CC(CC3=O)(C)C)C
InChi [?]:
InChI=1/C18H21NO/c1-12-6-5-7-14(8-12)19-13(2)9-15-16(19)10-18(3,4)11-17(15)20/h5-9H,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,18,19,4,3,5,7,10,13,15,2,9,6,11,12,16,14,8,17/E:(3,4)/rA:20nCCCCCCCNCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s12;s13;s14;s11s15;d16;s14;s14;s9;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO
All Atoms:41
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.54676
Area:459.241
Solvation:-1.93425
Coulombic:-14.1064
Bond Count [?]
All:22
Single:16
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:267.365
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.28
LogP (Chemaxon):3.47

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Descriptor Annotations

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