11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.0²,?]dodeca-1(9),2,7,11-tetraene-12-carboxylic acid

11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.0²,?]dodeca-1(9),2,7,11-tetraene-12-carboxylic acid

CAS: 1092969-14-6

Formula: C10H9N3O3

SMILES: CC1=C(C(O)=O)C2=C(O1)N=CN1CCN=C21

IUPAC: 11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.0²,?]dodeca-1(9),2,7,11-tetraene-12-carboxylic acid

InChI: InChI=1S/C10H9N3O3/c1-5-6(10(14)15)7-8-11-2-3-13(8)4-12-9(7)16-5/h4H,2-3H2,1H3,(H,14,15)

Composition: C (54.79%), H (4.14%), N (19.17%), O (21.90%)

Molar Mass: 219.2

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.064391162
Formal Charge	0
FSP3	0.3
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JOTJZLWZHQFULB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.35
Topological Polar Surface Area	78.4
Polarizability	19.91
Ring Count	3
Rotatable Bond Count	1

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