3-chloro-4-fluoro-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline

Formula:C13H11NOClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-chloro-4-fluoro-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline is a drug-like molecule.

MolName	3-chloro-4-fluoro-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline
MolecularFormula	C13H11NOClF
Smiles	Fc(ccc(NC/C=C/c1ccco1)c1)c1Cl
InChI	InChI=1S/C13H11ClFNO/c14-12-9-10(5-6-13(12)15)16-7-1-3-11-4-2-8-17-11/h1-6,8-9,16H,7H2
InChIK	ICYWATGSAADXAU-UHFFFAOYSA-N
TotalMolweight	251.687
Molweight	251.687
MonoisotopicMass	251.051319
CLogP	3.3814
CLogS	-4.248
H Acceptors	2
H Donors	1
TotalSurfaceArea	196.2
Relative PSA	0.13033
PolarSurfaceArea	25.17
Druglikeness	-1.1514
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70588
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Amines	1
Aromatic Amines	1
StereoCon

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