1-(4-nitrophenyl)adamantane

1-(4-nitrophenyl)adamantane

CAS: 1459-49-0

Formula: C16H19NO2

SMILES: [O-][N+](=O)C1=CC=C(C=C1)C12CC3CC(CC(C3)C1)C2

IUPAC: 1-(4-nitrophenyl)adamantane

InChI: InChI=1S/C16H19NO2/c18-17(19)15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10H2

Composition: C (74.68%), H (7.44%), N (5.44%), O (12.43%)

Molar Mass: 257.333

Atom Count: 38

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.141578856
Formal Charge	0
FSP3	0.62
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KGJYJYQWAMPKER-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.09
Topological Polar Surface Area	43.14
Polarizability	28.33
Ring Count	4
Rotatable Bond Count	2

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