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21017-50-5 | 1H-Indole-1-propanamide
CAS No: 21017-50-5 Catalog No: AG002KMQ MDL No:
Product Description
Catalog Number:
AG002KMQ
Chemical Name:
1H-Indole-1-propanamide
CAS Number:
21017-50-5
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
3-indol-1-ylpropanamide
InChI:
InChI=1S/C11H12N2O/c12-11(14)6-8-13-7-5-9-3-1-2-4-10(9)13/h1-5,7H,6,8H2,(H2,12,14)
InChI Key:
VITGGSSBWKUFGR-UHFFFAOYSA-N
SMILES:
NC(=O)CCn1ccc2c1cccc2
EC Number:
244-149-1
NSC Number:
17815
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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