3-[3-[(E)-2-[3-(3-nitrophenyl)-4-oxoquinazolin-2-yl]ethenyl]indol-1-yl]propanenitrile

Formula:C27H19N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[3-[(E)-2-[3-(3-nitrophenyl)-4-oxoquinazolin-2-yl]ethenyl]indol-1-yl]propanenitrile is a drug-like molecule.

MolName	3-[3-[(E)-2-[3-(3-nitrophenyl)-4-oxoquinazolin-2-yl]ethenyl]indol-1-yl]propanenitrile
MolecularFormula	C27H19N5O3
Smiles	N#CCCn1c(cccc2)c2c(/C=C/C(N2c3cccc([N+]([O-])=O)c3)=Nc(cccc3)c3C2=O)c1
InChI	InChI=1S/C27H19N5O3/c28-15-6-16-30-18-19(22-9-2-4-12-25(22)30)13-14-26-29-24-11-3-1-10-23(24)27(33)31(26)20-7-5-8-21(17-20)32(34)35/h1-5,7-14,17-18H,6,16H2
InChIK	ASQQQWHNEXRFBT-UHFFFAOYSA-N
TotalMolweight	461.48
Molweight	461.48
MonoisotopicMass	461.14879
CLogP	3.5167
CLogS	-6.129
H Acceptors	8
TotalSurfaceArea	353.5
Relative PSA	0.22334
PolarSurfaceArea	107.21
Druglikeness	-8.9779
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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