6-[[(2E,4E)-2-[(4-bromobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]hexanoic acid

Formula:C24H25N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[[(2E,4E)-2-[(4-bromobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]hexanoic acid is not a drug-like molecule.

MolName	6-[[(2E,4E)-2-[(4-bromobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]hexanoic acid
MolecularFormula	C24H25N2O4Br
Smiles	OC(CCCCCNC(/C(/NC(c(cc1)ccc1Br)=O)=C\C=C\c1ccccc1)=O)=O
InChI	InChI=1S/C24H25BrN2O4/c25-20-15-13-19(14-16-20)23(30)27-21(11-7-10-18-8-3-1-4-9-18)24(31)26-17-6-2-5-12-22(28)29/h1,3-4,7-11,13-16H,2,5-6,12,17H2,(H,26,31)(H,27,30)(H,28,29)
InChIK	RWOJFTPQOUTYGW-UHFFFAOYSA-N
TotalMolweight	485.377
Molweight	485.377
MonoisotopicMass	484.099769
CLogP	5.0445
CLogS	-5.367
H Acceptors	6
H Donors	3
TotalSurfaceArea	354.18
Relative PSA	0.21215
PolarSurfaceArea	95.5
Druglikeness	-9.1336
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	11
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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