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54012-72-5 | 1-(10H-Phenothiazin-10-yl)-2-phenylethan-1-one
CAS No: 54012-72-5 Catalog No: AG01EWEA MDL No:
Product Description
Catalog Number:
AG01EWEA
Chemical Name:
1-(10H-Phenothiazin-10-yl)-2-phenylethan-1-one
CAS Number:
54012-72-5
Molecular Formula:
C20H15NOS
Molecular Weight:
317.4042
IUPAC Name:
1-phenothiazin-10-yl-2-phenylethanone
InChI:
InChI=1S/C20H15NOS/c22-20(14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)21/h1-13H,14H2
InChI Key:
ODRJXAKDUXFICI-UHFFFAOYSA-N
SMILES:
O=C(N1c2ccccc2Sc2c1cccc2)Cc1ccccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.087g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.406g/mol
Monoisotopic Mass:
317.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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