Specification: |
Descriptors computed from structure, you can know some information about 3,3-Diphenyl-3-dimethylcarbamoyl-1-propyne (CAS NO.56767-15-8) :
Canonical SMILES: CN(C)C(=O)C(C#C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI: InChI=1S/C18H17NO/c1-4-18(17(20)19(2)3,
15-11-7-5-8-12-15)16-13-9-6-10-14-16/h1,5-14H,2-3H3
InChIKey: QHVZDRXOVUJDMT-UHFFFAOYSA-N
Exact Mass: 263.131014
MonoIsotopic Mass: 263.131014
Topological Polar Surface Area: 20.3
Heavy Atom Count: 20
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