AB47363
38748-32-2 | Triptolide
Manufacturer: A2B Chem
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CatalogNumber
AB47363
ChemicalName
Triptolide
CasNumber
38748-32-2
MolecularFormula
C20H24O6
MolecularWeight
360.401
MdlNumber
MFCD00210565
Smiles
O=C1OCC2=C1CC[C@]1([C@H]2C[C@H]2[C@@]3([C@@]41O[C@H]4[C@@H]1O[C@@]1([C@H]3O)C(C)C)O2)C
NscNumber
163062
Complexity
819
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
9
HeavyAtomCount
26
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.2
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CatalogNumber: AB47363
ChemicalName: Triptolide
CasNumber: 38748-32-2
MolecularFormula: C20H24O6
MolecularWeight: 360.401
MdlNumber: MFCD00210565
Smiles: O=C1OCC2=C1CC[C@]1([C@H]2C[C@H]2[C@@]3([C@@]41O[C@H]4[C@@H]1O[C@@]1([C@H]3O)C(C)C)O2)C
NscNumber: 163062
Complexity: 819
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 9
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AB47363
ChemicalName:
Triptolide
CasNumber:
38748-32-2
MolecularFormula:
C20H24O6
MolecularWeight:
360.401
MdlNumber:
MFCD00210565
Smiles:
O=C1OCC2=C1CC[C@]1([C@H]2C[C@H]2[C@@]3([C@@]41O[C@H]4[C@@H]1O[C@@]1([C@H]3O)C(C)C)O2)C
NscNumber:
163062
Complexity:
819
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
9
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.2
CatalogNumber: AB47364
ChemicalName: 2-Fluoro-5-methylphenol
CasNumber: 63762-79-8
MolecularFormula: C7H7FO
MolecularWeight: 126.1283
MdlNumber: MFCD00190101
Smiles: Cc1ccc(c(c1)O)F
NscNumber: __
Complexity: 94.9
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
AB47364
ChemicalName:
2-Fluoro-5-methylphenol
CasNumber:
63762-79-8
MolecularFormula:
C7H7FO
MolecularWeight:
126.1283
MdlNumber:
MFCD00190101
Smiles:
Cc1ccc(c(c1)O)F
NscNumber:
__
Complexity:
94.9
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: AB47365
ChemicalName: 1-Chloro-2-methoxy-5-methyl-4-nitrobenzene
CasNumber: 62492-41-5
MolecularFormula: C8H8ClNO3
MolecularWeight: 201.607
MdlNumber: MFCD23703045
Smiles: COc1cc([N+](=O)[O-])c(cc1Cl)C
NscNumber: __
Complexity: 194
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AB47365
ChemicalName:
1-Chloro-2-methoxy-5-methyl-4-nitrobenzene
CasNumber:
62492-41-5
MolecularFormula:
C8H8ClNO3
MolecularWeight:
201.607
MdlNumber:
MFCD23703045
Smiles:
COc1cc([N+](=O)[O-])c(cc1Cl)C
NscNumber:
__
Complexity:
194
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(=O)CBr
NscNumber: __
Complexity: 98.4
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(=O)CBr
NscNumber:
__
Complexity:
98.4
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.5