AB15609
18881-17-9 | (S)-1,2,3,4-Tetrahydroisoquinoline-3-methanol
Manufacturer: A2B Chem
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CatalogNumber
AB15609
ChemicalName
(S)-1,2,3,4-Tetrahydroisoquinoline-3-methanol
CasNumber
18881-17-9
MolecularFormula
C10H13NO
MolecularWeight
163.2163
MdlNumber
MFCD01631316
Smiles
OC[C@H]1NCc2c(C1)cccc2
Complexity
149
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
0.7
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CatalogNumber: AB15609
ChemicalName: (S)-1,2,3,4-Tetrahydroisoquinoline-3-methanol
CasNumber: 18881-17-9
MolecularFormula: C10H13NO
MolecularWeight: 163.2163
MdlNumber: MFCD01631316
Smiles: OC[C@H]1NCc2c(C1)cccc2
Complexity: 149
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.7
CatalogNumber:
AB15609
ChemicalName:
(S)-1,2,3,4-Tetrahydroisoquinoline-3-methanol
CasNumber:
18881-17-9
MolecularFormula:
C10H13NO
MolecularWeight:
163.2163
MdlNumber:
MFCD01631316
Smiles:
OC[C@H]1NCc2c(C1)cccc2
Complexity:
149
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.7
CatalogNumber: __
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Smiles: C1CC[C@@H]2N(C1)CCC2
Complexity: __
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Smiles:
C1CC[C@@H]2N(C1)CCC2
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: CC1=C[C@H](O)[C@H]2C[C@@H]1C2(C)C
Complexity: __
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RotatableBondCount: __
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__
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__
MolecularFormula:
__
MolecularWeight:
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Smiles:
CC1=C[C@H](O)[C@H]2C[C@@H]1C2(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CN(C(=S)SCCCS(=O)(=O)[O-])C.[Na+]
Complexity: 260
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(C(=S)SCCCS(=O)(=O)[O-])C.[Na+]
Complexity:
260
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__