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Chemical ID: 3990933
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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Experimental Annotations
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Descriptor Annotations
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