11-oxo-3,10-diazapentacyclo[10.7.1.0²,¹?.0?,?.0¹?,²?]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-17-carboxylic acid

11-oxo-3,10-diazapentacyclo[10.7.1.0²,¹?.0?,?.0¹?,²?]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-17-carboxylic acid

CAS: 52029-86-4

Formula: C19H10N2O3

SMILES: OC(=O)C1=CC=C2C3=NC4=CC=CC=C4N3C(=O)C3=C2C1=CC=C3

IUPAC: 11-oxo-3,10-diazapentacyclo[10.7.1.0²,¹?.0?,?.0¹?,²?]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-17-carboxylic acid

InChI: InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)

Composition: C (72.61%), H (3.21%), N (8.91%), O (15.27%)

Molar Mass: 314.3

Atom Count: 34

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	314.06914219
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MYKOWOGZBMOVBJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.66
Topological Polar Surface Area	72.19
Polarizability	35.95
Ring Count	5
Rotatable Bond Count	1

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