3-(adamantan-1-yl)-3-oxopropanenitrile

Chemical Structure Depiction of
3-(adamantan-1-yl)-3-oxopropanenitrile

Compound ID:	8018-6495
Compound Name:	3-(adamantan-1-yl)-3-oxopropanenitrile
Molecular Weight:	203.28
Molecular Formula:	C13 H17 N O
Smiles:	C(C#N)C(C12CC3CC(CC(C3)C2)C1)=O
Stereo:	ACHIRAL
logP:	2.9604
logD:	2.145
logSw:	-3.0711
Hydrogen bond acceptors count:	3
Polar surface area:	31.0105
InChI Key:	ALVFKYUPAPUUIU-UHFFFAOYSA-N

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