acridine-9-carboxylic acid hydrate

acridine-9-carboxylic acid hydrate

CAS: 332927-03-4

Formula: C14H11NO3

SMILES: O.OC(=O)C1=C2C=CC=CC2=NC2=CC=CC=C12

IUPAC: acridine-9-carboxylic acid hydrate

InChI: InChI=1S/C14H9NO2.H2O/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1-8H,(H,16,17);1H2

Composition: C (69.70%), H (4.60%), N (5.81%), O (19.90%)

Molar Mass: 241.246

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	241.073893218
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZQAZWHSZYVXGMP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.31
Topological Polar Surface Area	50.19
Polarizability	26.86
Ring Count	3
Rotatable Bond Count	1

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