AF58069
42438-90-4 | L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF58069
ChemicalName
L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
CasNumber
42438-90-4
MolecularFormula
C12H12N2O2
MolecularWeight
216.2359
MdlNumber
MFCD00272641
Smiles
OC(=O)[C@H]1NCc2c(C1)c1ccccc1[nH]2
Complexity
295
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
-1.2
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CatalogNumber: AF58069
ChemicalName: L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
CasNumber: 42438-90-4
MolecularFormula: C12H12N2O2
MolecularWeight: 216.2359
MdlNumber: MFCD00272641
Smiles: OC(=O)[C@H]1NCc2c(C1)c1ccccc1[nH]2
Complexity: 295
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: -1.2
CatalogNumber:
AF58069
ChemicalName:
L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
CasNumber:
42438-90-4
MolecularFormula:
C12H12N2O2
MolecularWeight:
216.2359
MdlNumber:
MFCD00272641
Smiles:
OC(=O)[C@H]1NCc2c(C1)c1ccccc1[nH]2
Complexity:
295
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
-1.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CC=CC=CC=CC=CC=O
Complexity: __
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__
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Smiles:
CC=CC=CC=CC=CC=O
Complexity:
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Smiles: C1=CC=C(C=C1)CF
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Smiles:
C1=CC=C(C=C1)CF
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: Clc1ccc(cc1C(F)(F)F)S(=O)(=O)C
Complexity: __
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MolecularWeight:
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Smiles:
Clc1ccc(cc1C(F)(F)F)S(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__