N,N-bis(2-chloroethyl)-4-[(Z)-1,2,4-triazol-4-yliminomethyl]aniline

Formula:C13H15N5Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high N,N-bis(2-chloroethyl)-4-[(Z)-1,2,4-triazol-4-yliminomethyl]aniline is a drug-like molecule.

MolName	N,N-bis(2-chloroethyl)-4-[(Z)-1,2,4-triazol-4-yliminomethyl]aniline
MolecularFormula	C13H15N5Cl2
Smiles	ClCCN(CCCl)c1ccc(/C=N\n2cnnc2)cc1
InChI	InChI=1S/C13H15Cl2N5/c14-5-7-19(8-6-15)13-3-1-12(2-4-13)9-18-20-10-16-17-11-20/h1-4,9-11H,5-8H2
InChIK	GTMFLJBQVXFCGY-UHFFFAOYSA-N
TotalMolweight	312.203
Molweight	312.203
MonoisotopicMass	311.070449
CLogP	2.3959
CLogS	-5.748
H Acceptors	5
TotalSurfaceArea	240.68
Relative PSA	0.18228
PolarSurfaceArea	46.31
Druglikeness	6.5705
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	7
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	3
StereoCon

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