3-[(E)-3-(3a,7a-dihydro-1H-benzimidazol-2-yl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one

Formula:C25H18N3O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-3-(3a,7a-dihydro-1H-benzimidazol-2-yl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one is a drug-like molecule.

MolName	3-[(E)-3-(3a,7a-dihydro-1H-benzimidazol-2-yl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one
MolecularFormula	C25H18N3O2Cl
Smiles	O=C(/C=C/C1=NC2C=CC=CC2N1)C1=C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O
InChI	InChI=1S/C25H18ClN3O2/c26-16-10-11-18-17(14-16)23(15-6-2-1-3-7-15)24(25(31)29-18)21(30)12-13-22-27-19-8-4-5-9-20(19)28-22/h1-14,19-20H,(H,27,28)(H,29,31)
InChIK	ZPUVJZNDCUXXBJ-UHFFFAOYSA-N
TotalMolweight	427.89
Molweight	427.89
MonoisotopicMass	427.108754
CLogP	2.6736
CLogS	-5.306
H Acceptors	5
H Donors	2
TotalSurfaceArea	316.75
Relative PSA	0.19103
PolarSurfaceArea	70.56
Druglikeness	4.0428
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	2
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
BasicNitrogens	1
StereoCon	unknown chirality

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