10,10-dimethyl-6H,7H,8H,10H-pyrido[1,2-a]indole; perchloric acid

• ChemBase ID: 181739
• Molecular Formular: C14H18ClNO4
• Molecular Mass: 299.75002
• Monoisotopic Mass: 299.09243574
• SMILES: N12C(=CCCC2)C(c2c1cccc2)(C)C.[Cl](=O)(=O)(=O)O
• Canonical SMILES: CC1(C)c2ccccc2N2C1=CCCC2.O[Cl](=O)(=O)=O
• InChI: InChI=1S/C14H17N.ClHO4/c1-14(2)11-7-3-4-8-12(11)15-10-6-5-9-13(14)15;2-1(3,4)5/h3-4,7-9H,5-6,10H2,1-2H3;(H,2,3,4,5)
• InChIKey: DGXZGXWBVXHBJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10,10-dimethyl-6H,7H,8H,10H-pyrido[1,2-a]indole; perchloric acid
• IUPAC Traditional name: 10,10-dimethyl-6H,7H,8H-pyrido[1,2-a]indole; perchloric acid

Database IDs

• PubChem SID: 164237649
• PubChem CID: 52993208

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4417763
• LogD (pH = 7.4): 3.4420252
• Log P: 3.4420285
• Molar Refractivity: 65.9715 cm^3
• Polarizability: 24.544584 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HClO4
• Classification: Rare Derivatives of Natural Compounds