2-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one

Formula:C19H17N2O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one
MolecularFormula	C19H17N2O2Br
Smiles	OCCCN(C(/C=C/c(cc1)ccc1Br)=Nc1c2cccc1)C2=O
InChI	InChI=1S/C19H17BrN2O2/c20-15-9-6-14(7-10-15)8-11-18-21-17-5-2-1-4-16(17)19(24)22(18)12-3-13-23/h1-2,4-11,23H,3,12-13H2
InChIK	SMXXZJNYAPJUHD-UHFFFAOYSA-N
TotalMolweight	385.26
Molweight	385.26
MonoisotopicMass	384.047339
CLogP	3.4741
CLogS	-4.11
H Acceptors	4
H Donors	1
TotalSurfaceArea	263.3
Relative PSA	0.15648
PolarSurfaceArea	52.9
Druglikeness	-0.40405
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

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