AH83147
933752-32-0 | 1,2,3,4-Tetrahydroisoquinoline-6-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH83147
ChemicalName
1,2,3,4-Tetrahydroisoquinoline-6-carboxylic acid
CasNumber
933752-32-0
MolecularFormula
C10H11NO2
MolecularWeight
177.1998
MdlNumber
MFCD09027511
Smiles
OC(=O)c1ccc2c(c1)CCNC2
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-1.4
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CatalogNumber: AH83147
ChemicalName: 1,2,3,4-Tetrahydroisoquinoline-6-carboxylic acid
CasNumber: 933752-32-0
MolecularFormula: C10H11NO2
MolecularWeight: 177.1998
MdlNumber: MFCD09027511
Smiles: OC(=O)c1ccc2c(c1)CCNC2
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -1.4
CatalogNumber:
AH83147
ChemicalName:
1,2,3,4-Tetrahydroisoquinoline-6-carboxylic acid
CasNumber:
933752-32-0
MolecularFormula:
C10H11NO2
MolecularWeight:
177.1998
MdlNumber:
MFCD09027511
Smiles:
OC(=O)c1ccc2c(c1)CCNC2
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-1.4
CatalogNumber: __
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Smiles: COc1ncc(c(c1)OC)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1ncc(c(c1)OC)N
Complexity:
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RotatableBondCount:
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Smiles: C1C(O1)COC2=CC=CC=C2C#N
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Smiles:
C1C(O1)COC2=CC=CC=C2C#N
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Smiles: CC[C@@H]([C@H](N(C(=O)[C@H](C(C)C)NC(=O)[C@@H](N(C(=O)OCc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@@H](C(C)C)NC(=O)CCCCCN1C(=O)C=CC1=O)CCCNC(=O)N)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C(=O)N[C@H](c1nccs1)Cc1ccccc1)C)OC)OC)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC[C@@H]([C@H](N(C(=O)[C@H](C(C)C)NC(=O)[C@@H](N(C(=O)OCc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@@H](C(C)C)NC(=O)CCCCCN1C(=O)C=CC1=O)CCCNC(=O)N)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C(=O)N[C@H](c1nccs1)Cc1ccccc1)C)OC)OC)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__