3-[(Z)-(4-chlorophenyl)methylideneamino]-8-fluoro-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Formula:C17H10N4O2ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-(4-chlorophenyl)methylideneamino]-8-fluoro-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is a drug-like molecule.

MolName	3-[(Z)-(4-chlorophenyl)methylideneamino]-8-fluoro-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
MolecularFormula	C17H10N4O2ClF
Smiles	O=C(c([nH]c(cc1)c2cc1F)c2NC1=O)N1/N=C\c(cc1)ccc1Cl
InChI	InChI=1S/C17H10ClFN4O2/c18-10-3-1-9(2-4-10)8-20-23-16(24)15-14(22-17(23)25)12-7-11(19)5-6-13(12)21-15/h1-8,21H,(H,22,25)
InChIK	FBLQVNLKMBAHKP-UHFFFAOYSA-N
TotalMolweight	356.743
Molweight	356.743
MonoisotopicMass	356.047631
CLogP	3.2232
CLogS	-5.697
H Acceptors	6
H Donors	2
TotalSurfaceArea	247.48
Relative PSA	0.26907
PolarSurfaceArea	77.56
Druglikeness	3.977
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - 3-[(Z)-(4-chlorophenyl)methylideneamino]-8-fluoro-1,5-dihydropyrimido[5,4-b]indole-2,4-dione | 2 - 3-[(Z)-(4-chlorophenyl)methylideneamino]-8-fluoro-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Request More Details | 3-[(Z)-(4-chlorophenyl)methylideneamino]-8-fluoro-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments