(4E)-2-benzyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid

Formula:C28H21N2O2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-benzyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid is a drug-like molecule.

MolName	(4E)-2-benzyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
MolecularFormula	C28H21N2O2F3
Smiles	OC(c1c(CN(Cc2ccccc2)C/C2=C\c3cccc(C(F)(F)F)c3)c2nc2ccccc12)=O
InChI	InChI=1S/C28H21F3N2O2/c29-28(30,31)21-10-6-9-19(14-21)13-20-16-33(15-18-7-2-1-3-8-18)17-23-25(27(34)35)22-11-4-5-12-24(22)32-26(20)23/h1-14H,15-17H2,(H,34,35)
InChIK	UMHGBBVFMLIPFE-UHFFFAOYSA-N
TotalMolweight	474.481
Molweight	474.481
MonoisotopicMass	474.155512
CLogP	4.0701
CLogS	-5.685
H Acceptors	4
H Donors	1
TotalSurfaceArea	342.49
Relative PSA	0.11872
PolarSurfaceArea	53.43
Druglikeness	-4.4096
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.4
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	6
Symmetricatoms	4
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - (4E)-2-benzyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid | 2 - (4E)-2-benzyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid

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