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116176-97-7 | 1-Propanone, 3-(1H-imidazol-1-yl)-1-(1H-indol-3-yl)-
CAS No: 116176-97-7 Catalog No: AG000BTU MDL No:
Product Description
Catalog Number:
AG000BTU
Chemical Name:
1-Propanone, 3-(1H-imidazol-1-yl)-1-(1H-indol-3-yl)-
CAS Number:
116176-97-7
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
IUPAC Name:
3-imidazol-1-yl-1-(1H-indol-3-yl)propan-1-one
InChI:
InChI=1S/C14H13N3O/c18-14(5-7-17-8-6-15-10-17)12-9-16-13-4-2-1-3-11(12)13/h1-4,6,8-10,16H,5,7H2
InChI Key:
NGVLERDZGDBFJX-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c1cccc2)CCn1cncc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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