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3,9-diazatricyclo[8.4.0.0³,?]tetradeca-1(14),4,6,10,12-pentaene

3,9-diazatricyclo[8.4.0.0³,?]tetradeca-1(14),4,6,10,12-pentaene

CAS: 22162-53-4

Formula: C12H12N2

SMILES: C1NC2=CC=CC=C2CN2C=CC=C12

IUPAC: 3,9-diazatricyclo[8.4.0.0³,?]tetradeca-1(14),4,6,10,12-pentaene

InChI: InChI=1S/C12H12N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-7,13H,8-9H2

Composition: C (78.23%), H (6.57%), N (15.21%)

Molar Mass: 184.242

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 184.100048394
Formal Charge 0
FSP3 0.17
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey POAQFKSUTQWHMZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.95
Topological Polar Surface Area 16.96
Polarizability 21.66
Ring Count 3
Rotatable Bond Count 0

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