(6E)-6-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-7,8,9,10-tetrahydrocyclohepta[b]quinoline-11-carboxylic acid

Formula:C33H25N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (6E)-6-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-7,8,9,10-tetrahydrocyclohepta[b]quinoline-11-carboxylic acid is not a drug-like molecule.

MolName	(6E)-6-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-7,8,9,10-tetrahydrocyclohepta[b]quinoline-11-carboxylic acid
MolecularFormula	C33H25N3O3
Smiles	OC(c1c(CCCC/C2=C\c3cn(-c4ccccc4)nc3-c3cc(cccc4)c4o3)c2nc2ccccc12)=O
InChI	InChI=1S/C33H25N3O3/c37-33(38)30-25-14-7-8-16-27(25)34-31-22(11-4-6-15-26(30)31)18-23-20-36(24-12-2-1-3-13-24)35-32(23)29-19-21-10-5-9-17-28(21)39-29/h1-3,5,7-10,12-14,16-20H,4,6,11,15H2,(H,37,38)
InChIK	HCHPUFYEVHQCLA-UHFFFAOYSA-N
TotalMolweight	511.58
Molweight	511.58
MonoisotopicMass	511.189592
CLogP	5.9719
CLogS	-7.447
H Acceptors	6
H Donors	1
TotalSurfaceArea	388.5
Relative PSA	0.17776
PolarSurfaceArea	81.15
Druglikeness	-2.5178
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.38462
Fragments	1
Non HAtoms	39
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	7
Small Rings	7
Aromatic Rings	6
Aromatic Atoms	30
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - (6E)-6-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-7,8,9,10-tetrahydrocyclohepta[b]quinoline-11-carboxylic acid | 2 - (6E)-6-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-7,8,9,10-tetrahydrocyclohepta[b]quinoline-11-carboxylic acid

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