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Chemical ID: 4217359
Chemical ID:
4217359
Name [?]:
1-(5-hydroxy-1,2-dimethyl-indol-3-yl)ethanone
SMILES [?]:
Cc1c(c2cc(ccc2n1C)O)C(=O)C
InChi [?]:
InChI=1/C12H13NO2/c1-7-12(8(2)14)10-6-9(15)4-5-11(10)13(7)3/h4-6,15H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,11,7,8,5,2,13,6,4,9,3,10,14,12/rA:15nCCCCCCCCCNCOCOC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;s6;s3;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.30321 |
Area: | 375.083 |
Solvation: | -3.07386 |
Coulombic: | -28.2904 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 203.237 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.07 |
LogP (Chemaxon): | 1.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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