1-(3,6-dichlorocarbazol-9-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol

Formula:C28H29N3OCl2 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(3,6-dichlorocarbazol-9-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol is not a drug-like molecule.

MolName	1-(3,6-dichlorocarbazol-9-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
MolecularFormula	C28H29N3OCl2
Smiles	OC(Cn1c(ccc(Cl)c2)c2c2c1ccc(Cl)c2)CN1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C28H29Cl2N3O/c29-22-8-10-27-25(17-22)26-18-23(30)9-11-28(26)33(27)20-24(34)19-32-15-13-31(14-16-32)12-4-7-21-5-2-1-3-6-21/h1-11,17-18,24,34H,12-16,19-20H2/t24-/m1/s1
InChIK	UAAIAELDYVRREY-XMMPIXPASA-N
TotalMolweight	494.464
Molweight	494.464
MonoisotopicMass	493.168766
CLogP	5.6005
CLogS	-5.185
H Acceptors	4
H Donors	1
TotalSurfaceArea	371.03
Relative PSA	0.072959
PolarSurfaceArea	31.64
Druglikeness	7.3114
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	11
Symmetricatoms	11
Amines	2
AlkylAmines	2
Aromatic Nitrogens	1
BasicNitrogens	2
StereoCon	racemate

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