Furagin

Name: Furagin
SKU: PI1672884
Rating: 5 (1 reviews)

Cat. No.: PI1672884

Product Details Other Identifiers Computed Properties

CAS	1672-88-4
Synonyms	1-((3-(5-Nitrofuran-2-yl)allylidene)amino)imidazolidine-2,4-dione
Purity	98%
Molecular Formula	C10H8N4O5
Molecular Weight	264.19
Molar Refractivity	72.74

Pubchem ID	6870646
InChI Key	DECBQELQORZLLP-UAIOPKHMSA-N
MDL Number	MFCD00431319

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	4
Topological Polar Surface Area	120.73 Å²
Heavy Atom Count	19
Aromatic Heavy Atoms Number	5
Fraction Csp3	0.1
Log Po/w (iLOGP)	1.22
Log Po/w (XLOGP3)	0.46
Log Po/w (WLOGP)	-0.13
Log Po/w (MLOGP)	0.67
Log Po/w (SILICOS-IT)	-1.12
Consensus Log Po/w	0.22
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.58 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	4.0 alert
Leadlikeness	0.0
Synthetic Accessibility	3.22

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