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4'-phenylspiro[adamantane-2,2'-[1,3,4]triazolidin]-5'-one

4'-phenylspiro[adamantane-2,2'-[1,3,4]triazolidin]-5'-one

CAS: 131365-80-5

Formula: C17H21N3O

SMILES: O=C1NC2(NN1C1=CC=CC=C1)C1CC3CC(C1)CC2C3

IUPAC: 4'-phenylspiro[adamantane-2,2'-[1,3,4]triazolidin]-5'-one

InChI: InChI=1S/C17H21N3O/c21-16-18-17(19-20(16)15-4-2-1-3-5-15)13-7-11-6-12(9-13)10-14(17)8-11/h1-5,11-14,19H,6-10H2,(H,18,21)

Composition: C (72.06%), H (7.47%), N (14.83%), O (5.65%)

Molar Mass: 283.375

Atom Count: 42

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 283.168462308
Formal Charge 0
FSP3 0.59
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey LBTDMALBMKPBED-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.29
Topological Polar Surface Area 44.37
Polarizability 31.42
Ring Count 5
Rotatable Bond Count 1

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