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5-acetyl-3-oxa-13-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1,5,7,9(17)-tetraen-4-one

5-acetyl-3-oxa-13-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1,5,7,9(17)-tetraen-4-one

CAS: 55804-67-6

Formula: C17H17NO3

SMILES: CC(=O)C1=CC2=CC3=C4N(CCC3)CCCC4=C2OC1=O

IUPAC: 5-acetyl-3-oxa-13-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1,5,7,9(17)-tetraen-4-one

InChI: InChI=1S/C17H17NO3/c1-10(19)14-9-12-8-11-4-2-6-18-7-3-5-13(15(11)18)16(12)21-17(14)20/h8-9H,2-7H2,1H3

Composition: C (72.07%), H (6.05%), N (4.94%), O (16.94%)

Molar Mass: 283.327

Atom Count: 38

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 283.120843411
Formal Charge 0
FSP3 0.41
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey JBPCDMSEJVCNGV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.42
Topological Polar Surface Area 46.61
Polarizability 29.96
Ring Count 4
Rotatable Bond Count 1

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