1-N,4-N-bis[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]phthalazine-1,4-diamine

Formula:C30H32N8Cl4 Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-N,4-N-bis[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]phthalazine-1,4-diamine is not a drug-like molecule.

MolName	1-N,4-N-bis[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]phthalazine-1,4-diamine
MolecularFormula	C30H32N8Cl4
Smiles	ClCCN(CCCl)c1ccc(/C=N\Nc(c2ccccc22)nnc2N/N=C\c(cc2)ccc2N(CCCl)CCCl)cc1
InChI	InChI=1S/C30H32Cl4N8/c31-13-17-41(18-14-32)25-9-5-23(6-10-25)21-35-37-29-27-3-1-2-4-28(27)30(40-39-29)38-36-22-24-7-11-26(12-8-24)42(19-15-33)20-16-34/h1-12,21-22H,13-20H2,(H,37,39)(H,38,40)
InChIK	CAMLFZBPGVUOEP-UHFFFAOYSA-N
TotalMolweight	646.452
Molweight	646.452
MonoisotopicMass	644.1504
CLogP	10.425
CLogS	-8.968
H Acceptors	8
H Donors	2
TotalSurfaceArea	489.7
Relative PSA	0.15311
PolarSurfaceArea	81.04
Druglikeness	5.7789
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.61905
Fragments	1
Non HAtoms	42
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	16
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	8
Symmetricatoms	26
Amines	2
Aromatic Amines	2
Aromatic Nitrogens	2
StereoCon

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