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4,5,7,9,13-pentaazapentacyclo[11.8.0.0³,¹¹.0?,?.0¹?,²¹]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one

4,5,7,9,13-pentaazapentacyclo[11.8.0.0³,¹¹.0?,?.0¹?,²¹]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one

CAS: 344262-61-9

Formula: C16H13N5O

SMILES: O=C1N2CCC3=C(C=CC=C3)C2CC2=C1C=NC1=NC=NN21

IUPAC: 4,5,7,9,13-pentaazapentacyclo[11.8.0.0³,¹¹.0?,?.0¹?,²¹]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one

InChI: InChI=1/C16H13N5O/c22-15-12-8-17-16-18-9-19-21(16)14(12)7-13-11-4-2-1-3-10(11)5-6-20(13)15/h1-4,8-9,13H,5-7H2

Composition: C (65.97%), H (4.50%), N (24.04%), O (5.49%)

Molar Mass: 291.314

Atom Count: 35

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 291.112010059
Formal Charge 0
FSP3 0.25
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey SERSOAJNGUIFSO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.37
Topological Polar Surface Area 63.39
Polarizability 29.86
Ring Count 5
Rotatable Bond Count 0

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90% <2 Days 344262-61-9 $51.35-$86.31$51.35$63.37$86.31
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