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94696-01-2 | 5H-Benzo[a]phenothiazin-5-one, 6-cyclopropyl-
CAS No: 94696-01-2 Catalog No: AG006T74 MDL No:
Product Description
Catalog Number:
AG006T74
Chemical Name:
5H-Benzo[a]phenothiazin-5-one, 6-cyclopropyl-
CAS Number:
94696-01-2
Molecular Formula:
C19H13NOS
Molecular Weight:
303.3776
IUPAC Name:
6-cyclopropylbenzo[a]phenothiazin-5-one
InChI:
InChI=1S/C19H13NOS/c21-18-13-6-2-1-5-12(13)17-19(16(18)11-9-10-11)22-15-8-4-3-7-14(15)20-17/h1-8,11H,9-10H2
InChI Key:
YEQPDOMFPKEMFX-UHFFFAOYSA-N
SMILES:
O=c1c(C2CC2)c2sc3ccccc3nc2c2c1cccc2
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.379g/mol
Monoisotopic Mass:
303.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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