2-[(11Z)-12-methyl-1,2,3,4,5,6,7,8,9,10-decaboracyclododec-11-en-11-yl]acetonitrile

Formula:C5H15NB10 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(11Z)-12-methyl-1,2,3,4,5,6,7,8,9,10-decaboracyclododec-11-en-11-yl]acetonitrile is a drug-like molecule.

MolName	2-[(11Z)-12-methyl-1,2,3,4,5,6,7,8,9,10-decaboracyclododec-11-en-11-yl]acetonitrile
MolecularFormula	C5H15NB10
Smiles	C/C(/BBBBBBBBBB1)=C1\CC#N
InChI	InChI=1S/C5H15B10N/c1-4-5(2-3-16)7-9-11-13-15-14-12-10-8-6-4/h6-15H,2H2,1H3
InChIK	GUBHEFFFLSDIOW-UHFFFAOYSA-N
TotalMolweight	197.291
Molweight	197.291
MonoisotopicMass	199.213499
CLogP	0.6772
CLogS	-1.402
H Acceptors	1
TotalSurfaceArea	70.65
Relative PSA	0.19193
PolarSurfaceArea	23.79
Druglikeness	-15.078
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	unwanted atom
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	11
Electronegative Atoms	1
Rotatable Bond	1
Rings Closures	1
Sp3Atoms	2
StereoCon

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1 - 2-[(11Z)-12-methyl-1,2,3,4,5,6,7,8,9,10-decaboracyclododec-11-en-11-yl]acetonitrile | 2 - 2-[(11Z)-12-methyl-1,2,3,4,5,6,7,8,9,10-decaboracyclododec-11-en-11-yl]acetonitrile

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