AF68124
3621-36-1 | Columbamine
Manufacturer: A2B Chem
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CatalogNumber
AF68124
ChemicalName
Columbamine
CasNumber
3621-36-1
MolecularFormula
C20H20NO4
MolecularWeight
338.3771
MdlNumber
MFCD01546522
Smiles
COc1cc2CC[n+]3c(-c2cc1O)cc1c(c3)c(OC)c(cc1)OC
Complexity
461
Covalently-bondedUnitCount
1
FormalCharge
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AF68124
ChemicalName: Columbamine
CasNumber: 3621-36-1
MolecularFormula: C20H20NO4
MolecularWeight: 338.3771
MdlNumber: MFCD01546522
Smiles: COc1cc2CC[n+]3c(-c2cc1O)cc1c(c3)c(OC)c(cc1)OC
Complexity: 461
Covalently-bondedUnitCount: 1
FormalCharge: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AF68124
ChemicalName:
Columbamine
CasNumber:
3621-36-1
MolecularFormula:
C20H20NO4
MolecularWeight:
338.3771
MdlNumber:
MFCD01546522
Smiles:
COc1cc2CC[n+]3c(-c2cc1O)cc1c(c3)c(OC)c(cc1)OC
Complexity:
461
Covalently-bondedUnitCount:
1
FormalCharge:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]31O[C@@H]3[C@@H]([C@@H]2c1ccc(=O)oc1)O)C)C
Complexity: __
Covalently-bondedUnitCount: __
FormalCharge: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]31O[C@@H]3[C@@H]([C@@H]2c1ccc(=O)oc1)O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
FormalCharge:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1CC[C@]2([C@](C1)(O)CC[C@@H]1[C@@H]2CC[C@]2([C@]31O[C@@H]3[C@@H]([C@@H]2c1ccc(=O)oc1)O)C)C
Complexity: __
Covalently-bondedUnitCount: __
FormalCharge: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1CC[C@]2([C@](C1)(O)CC[C@@H]1[C@@H]2CC[C@]2([C@]31O[C@@H]3[C@@H]([C@@H]2c1ccc(=O)oc1)O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
FormalCharge:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)CN(CC2c1ccc(c(c1)Cl)Cl)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
FormalCharge: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)CN(CC2c1ccc(c(c1)Cl)Cl)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
FormalCharge:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__