3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one

Formula:C17H10N4OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one is a drug-like molecule.

MolName	3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
MolecularFormula	C17H10N4OCl2
Smiles	O=C(c([nH]c1c2cccc1)c2N=C1)N1/N=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C17H10Cl2N4O/c18-11-6-5-10(13(19)7-11)8-21-23-9-20-15-12-3-1-2-4-14(12)22-16(15)17(23)24/h1-9,22H
InChIK	KOPLJFBRFJZMEN-UHFFFAOYSA-N
TotalMolweight	357.199
Molweight	357.199
MonoisotopicMass	356.023165
CLogP	3.7774
CLogS	-5.82
H Acceptors	5
H Donors	1
TotalSurfaceArea	252.1
Relative PSA	0.21261
PolarSurfaceArea	60.82
Druglikeness	5.2974
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Aromatic Nitrogens	1
StereoCon

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