AI45284
22246-12-4 | 6-Methoxy-3,4-dihydro-2h-isoquinolin-1-one
Manufacturer: A2B Chem
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CatalogNumber
AI45284
ChemicalName
6-Methoxy-3,4-dihydro-2h-isoquinolin-1-one
CasNumber
22246-12-4
MolecularFormula
C10H11NO2
MolecularWeight
177.1998
MdlNumber
MFCD04114865
Smiles
COc1ccc2c(c1)CCNC2=O
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AI45284
ChemicalName: 6-Methoxy-3,4-dihydro-2h-isoquinolin-1-one
CasNumber: 22246-12-4
MolecularFormula: C10H11NO2
MolecularWeight: 177.1998
MdlNumber: MFCD04114865
Smiles: COc1ccc2c(c1)CCNC2=O
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AI45284
ChemicalName:
6-Methoxy-3,4-dihydro-2h-isoquinolin-1-one
CasNumber:
22246-12-4
MolecularFormula:
C10H11NO2
MolecularWeight:
177.1998
MdlNumber:
MFCD04114865
Smiles:
COc1ccc2c(c1)CCNC2=O
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)C#N)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)C#N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI45286
ChemicalName: (1H-Indol-3-yl)methanamine
CasNumber: 22259-53-6
MolecularFormula: C9H10N2
MolecularWeight: 146.1891
MdlNumber: MFCD01631210
Smiles: NCc1c[nH]c2c1cccc2
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AI45286
ChemicalName:
(1H-Indol-3-yl)methanamine
CasNumber:
22259-53-6
MolecularFormula:
C9H10N2
MolecularWeight:
146.1891
MdlNumber:
MFCD01631210
Smiles:
NCc1c[nH]c2c1cccc2
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCC(=O)O.N.N
Complexity: 81.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCC(=O)O.N.N
Complexity:
81.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__