10-phenyl-9-azatetracyclo[10.2.1.0²,¹¹.0³,?]pentadeca-3(8),4,6-triene-5-carboxylic acid

10-phenyl-9-azatetracyclo[10.2.1.0²,¹¹.0³,?]pentadeca-3(8),4,6-triene-5-carboxylic acid

Formula: C21H21NO2

SMILES: OC(=O)C1=CC2=C(NC(C3C4CCC(C4)C23)C2=CC=CC=C2)C=C1

IUPAC: 10-phenyl-9-azatetracyclo[10.2.1.0²,¹¹.0³,?]pentadeca-3(8),4,6-triene-5-carboxylic acid

InChI: InChI=1/C21H21NO2/c23-21(24)15-8-9-17-16(11-15)18-13-6-7-14(10-13)19(18)20(22-17)12-4-2-1-3-5-12/h1-5,8-9,11,13-14,18-20,22H,6-7,10H2,(H,23,24)

Composition: C (78.97%), H (6.63%), N (4.39%), O (10.02%)

Molar Mass: 319.404

Atom Count: 45

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	5
Exact Mass	319.15722892
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PEIGAFLQZLAFNK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.82
Topological Polar Surface Area	49.33
Polarizability	35.85
Ring Count	5
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C21H21NO2		Quote Only