Chemical ID: 4217359

Cc1c(c2cc(ccc2n1C)O)C(=O)C
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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