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4,7-diazatricyclo[7.5.0.0²,?]tetradeca-1,8-dien-3-one

4,7-diazatricyclo[7.5.0.0²,?]tetradeca-1,8-dien-3-one

CAS: 2180068-12-4

Formula: C12H16N2O

SMILES: O=C1NCCN2C=C3CCCCCC3=C12

IUPAC: 4,7-diazatricyclo[7.5.0.0²,?]tetradeca-1,8-dien-3-one

InChI: InChI=1S/C12H16N2O/c15-12-11-10-5-3-1-2-4-9(10)8-14(11)7-6-13-12/h8H,1-7H2,(H,13,15)

Composition: C (70.56%), H (7.90%), N (13.71%), O (7.83%)

Molar Mass: 204.273

Atom Count: 31

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 204.126263143
Formal Charge 0
FSP3 0.58
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey PPUZULGHUONZLS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.68
Topological Polar Surface Area 34.03
Polarizability 22.15
Ring Count 3
Rotatable Bond Count 0

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