N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide

Formula:C26H30N4OCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide is not a drug-like molecule.

MolName	N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
MolecularFormula	C26H30N4OCl2
Smiles	O=C(CCn1c(cccc2)c2c2c1CCCC2)N/N=C\c(cc1)ccc1N(CCCl)CCCl
InChI	InChI=1S/C26H30Cl2N4O/c27-14-17-31(18-15-28)21-11-9-20(10-12-21)19-29-30-26(33)13-16-32-24-7-3-1-5-22(24)23-6-2-4-8-25(23)32/h1,3,5,7,9-12,19H,2,4,6,8,13-18H2,(H,30,33)
InChIK	NOKYJMXBACHFIR-UHFFFAOYSA-N
TotalMolweight	485.457
Molweight	485.457
MonoisotopicMass	484.179665
CLogP	5.7012
CLogS	-6.2
H Acceptors	5
H Donors	1
TotalSurfaceArea	376.03
Relative PSA	0.12347
PolarSurfaceArea	49.63
Druglikeness	2.7766
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	10
Symmetricatoms	5
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide | 2 - N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide

Request More Details | N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments