trivial
THJ-018
systemic
1-Naphthalenyl(1-pentyl-1'H'-indazol-3-yl)-methanone
THJ-018
systemic
1-Naphthalenyl(1-pentyl-1'H'-indazol-3-yl)-methanone
Identifiers
InChIKey: VAKGBPSFDNTMDJ-UHFFFAOYSA-N
Formula: C23H22N2O
CAS Registry numbers:
1364933-55-0
Descriptors
Bioavailability-related
Molecular weight: 342.17 DaPartition coefficient: 5.61
H bond donors: 0
H bond acceptors: 3
Rotatable bonds: 6
Molar refractivity: 106.64 J mol-1 K-1
Polar surface area: 34.89 Å2
Generic
Stereocenters: 0Heteroatoms: 3
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 0
Ring-related
Rings: 4Heterocycles: 1
Aromatic rings: 4
Aromatic carbocycles: 3
Aromatic heterocycles: 1
Aliphatic rings: 0
Aliphatic carbocycles: 0
Aliphatic heterocycles: 0