1-[1-[(E)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]tetrazol-5-yl]-N,N,2-trimethylpropan-1-amine

Formula:C20H29N5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[1-[(E)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]tetrazol-5-yl]-N,N,2-trimethylpropan-1-amine is a drug-like molecule.

MolName	1-[1-[(E)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]tetrazol-5-yl]-N,N,2-trimethylpropan-1-amine
MolecularFormula	C20H29N5Cl2
Smiles	CC(C)C(c1nnnn1C(C(C)(C)C)/C=C/c(ccc(Cl)c1)c1Cl)N(C)C
InChI	InChI=1S/C20H29Cl2N5/c1-13(2)18(26(6)7)19-23-24-25-27(19)17(20(3,4)5)11-9-14-8-10-15(21)12-16(14)22/h8-13,17-18H,1-7H3
InChIK	RRSXIGMTXMVSFO-UHFFFAOYSA-N
TotalMolweight	410.391
Molweight	410.391
MonoisotopicMass	409.179999
CLogP	4.8904
CLogS	-3.785
H Acceptors	5
TotalSurfaceArea	319.87
Relative PSA	0.13546
PolarSurfaceArea	46.84
Druglikeness	-2.679
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	12
Symmetricatoms	4
Amines	1
AlkylAmines	1
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon	unknown chirality

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1 - 1-[1-[(E)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]tetrazol-5-yl]-N,N,2-trimethylpropan-1-amine | 2 - 1-[1-[(E)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]tetrazol-5-yl]-N,N,2-trimethylpropan-1-amine

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