Chemical ID: 3990933

Cc1ccc(cc1)n2c(cc3c2CCCC3=O)C
Chemical ID:
3990933
Name [?]:
2-methyl-1-(p-tolyl)-6,7-dihydro-5H-indol-4-one
SMILES [?]:
Cc1ccc(cc1)n2c(cc3c2CCCC3=O)C
InChi [?]:
InChI=1/C16H17NO/c1-11-6-8-13(9-7-11)17-12(2)10-14-15(17)4-3-5-16(14)18/h6-10H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,14,13,15,3,7,4,6,10,2,9,5,11,12,16,8,17/E:(6,7)(8,9)/rA:18nCCCCCCCNCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s12;s13;s14;s11s15;d16;s9;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.52209
Area:421.352
Solvation:-2.0117
Coulombic:-13.3584
Bond Count [?]
All:20
Single:14
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:239.312
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.16
LogP (Chemaxon):2.71

Name Annotations

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Descriptor Annotations

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