Computed Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Synonyms
Methyl 3-(cyanomethyl)-1H-indole-5-carboxylate
113438-59-8
1H-Indole-5-carboxylic acid, 3-(cyanomethyl)-, methyl ester
SCHEMBL2999443
3-(cyanomethyl)-1H-Indole-5-carboxylic acid methyl ester
VLFBRVZBFMLNAS-UHFFFAOYSA-N
ZINC26894218
3-Cyanomethyl-1H-indole-5-carboxylic acid methyl ester
