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Chemical ID: 4617975
Chemical ID:
4617975
Name [?]:
1-[1-(2,4-dimethylphenyl)-5-hydroxy-2-methyl-indol-3-yl]ethanone
SMILES [?]:
Cc1ccc(c(c1)C)n2c(c(c3c2ccc(c3)O)C(=O)C)C
InChi [?]:
InChI=1/C19H19NO2/c1-11-5-7-17(12(2)9-11)20-13(3)19(14(4)21)16-10-15(22)6-8-18(16)20/h5-10,22H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,22,21,3,15,4,14,7,17,2,6,10,19,16,12,5,13,11,9,20,18/rA:22nCCCCCCCCNCCCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9s12;d13;s14;d15;d12s16;s16;s11;d19;s19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.39465 |
Area: | 492.945 |
Solvation: | -2.92897 |
Coulombic: | -29.3766 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 293.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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