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emixustat hydrochloride

emixustat hydrochloride

CAS: 1141934-97-5

Formula: C16H26ClNO2

SMILES: Cl[H].NCC[C@@H](O)C1=CC(OCC2CCCCC2)=CC=C1

IUPAC: (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol hydrochloride

InChI: InChI=1S/C16H25NO2.ClH/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13;/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2;1H/t16-;/m1./s1

Composition: C (64.09%), H (8.74%), Cl (11.82%), N (4.67%), O (10.67%)

Molar Mass: 299.84

Atom Count: 46

Heavy Atom Count: 20

Properties
Properties
Common Names emixustat hydrochloride
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 299.1652068
Formal Charge 0
FSP3 0.62
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BPZWRYOUJMDQSY-PKLMIRHRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.57
Topological Polar Surface Area 55.48
Polarizability 30.84
Ring Count 2
Rotatable Bond Count 6

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