(E)-1-[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]pyrazol-1-yl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one

Formula:C28H23N2O3Cl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]pyrazol-1-yl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]pyrazol-1-yl]-3-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one
MolecularFormula	C28H23N2O3Cl2F
Smiles	O=C(/C=C/c(cc1)ccc1OCCCF)n(cc1)nc1-c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C28H23Cl2FN2O3/c29-23-8-5-22(26(30)18-23)19-36-25-11-6-21(7-12-25)27-14-16-33(32-27)28(34)13-4-20-2-9-24(10-3-20)35-17-1-15-31/h2-14,16,18H,1,15,17,19H2
InChIK	KEKITUQICDPYEE-UHFFFAOYSA-N
TotalMolweight	525.406
Molweight	525.406
MonoisotopicMass	524.106975
CLogP	6.3995
CLogS	-7.597
H Acceptors	5
TotalSurfaceArea	396.98
Relative PSA	0.12817
PolarSurfaceArea	53.35
Druglikeness	-0.015992
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72222
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	11
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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