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133550-09-1 | Propanedinitrile, (1H-indol-5-ylmethylene)-
CAS No: 133550-09-1 Catalog No: AG0072GV MDL No:
Product Description
Catalog Number:
AG0072GV
Chemical Name:
Propanedinitrile, (1H-indol-5-ylmethylene)-
CAS Number:
133550-09-1
Molecular Formula:
C12H7N3
Molecular Weight:
193.2041
IUPAC Name:
2-(1H-indol-5-ylmethylidene)propanedinitrile
InChI:
InChI=1S/C12H7N3/c13-7-10(8-14)5-9-1-2-12-11(6-9)3-4-15-12/h1-6,15H
InChI Key:
WXKRFPWLMFBHAV-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc2c(c1)cc[nH]2)C#N
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.209g/mol
Monoisotopic Mass:
193.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Tyrphostins. 2. Heterocyclic and alpha-substituted benzylidenemalononitrile tyrphostins as potent inhibitors of EGF receptor and ErbB2/neu tyrosine kinases. | Journal of medicinal chemistry 19910601 |
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