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Home > Indoles and Oxindole > 216578-39-1
216578-39-1 | 1H-Indole-4,7-dione, 6-(1-aziridinyl)-2,3,5-trimethyl-
CAS No: 216578-39-1 Catalog No: AG0070E3 MDL No:
Product Description
Catalog Number:
AG0070E3
Chemical Name:
1H-Indole-4,7-dione, 6-(1-aziridinyl)-2,3,5-trimethyl-
CAS Number:
216578-39-1
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
6-(aziridin-1-yl)-2,3,5-trimethyl-1H-indole-4,7-dione
InChI:
InChI=1S/C13H14N2O2/c1-6-8(3)14-10-9(6)12(16)7(2)11(13(10)17)15-4-5-15/h14H,4-5H2,1-3H3
InChI Key:
QXOJFSBWEFDWNI-UHFFFAOYSA-N
SMILES:
CC1=C(N2CC2)C(=O)c2c(C1=O)c(C)c([nH]2)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Aziridinyl quinone antitumor agents based on indoles and cyclopent[b]indoles: structure-activity relationships for cytotoxicity and antitumor activity. | Journal of medicinal chemistry 20011025 |
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