AB72281
1552-42-7 | Crystal violet lactone
Manufacturer: A2B Chem
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CatalogNumber
AB72281
ChemicalName
Crystal violet lactone
CasNumber
1552-42-7
MolecularFormula
C26H29N3O2
MolecularWeight
415.5273599999999
MdlNumber
MFCD00070611
Smiles
CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C
Complexity
590
Covalently-bondedUnitCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
5
RotatableBondCount
5
Xlogp3
5.3
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CatalogNumber: AB72281
ChemicalName: Crystal violet lactone
CasNumber: 1552-42-7
MolecularFormula: C26H29N3O2
MolecularWeight: 415.5273599999999
MdlNumber: MFCD00070611
Smiles: CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C
Complexity: 590
Covalently-bondedUnitCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 5.3
CatalogNumber:
AB72281
ChemicalName:
Crystal violet lactone
CasNumber:
1552-42-7
MolecularFormula:
C26H29N3O2
MolecularWeight:
415.5273599999999
MdlNumber:
MFCD00070611
Smiles:
CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C
Complexity:
590
Covalently-bondedUnitCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
5.3
CatalogNumber: __
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Smiles: C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C.[Cl-].O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C.[Cl-].O
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC1=CC=C(C=C1)C(C)C.CC(C)C1=CCC(=CC1)C=O.CC(C)C1=CC=C(C=C1)C=O.CC1(C2CCC(=C)C1C2)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
CC1=CC=C(C=C1)C(C)C.CC(C)C1=CCC(=CC1)C=O.CC(C)C1=CC=C(C=C1)C=O.CC1(C2CCC(=C)C1C2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCCCCCCCCCCC1c2cc(c(cc2O)O)C(CCCCCCCCCCC)c2cc(c(cc2O)O)C(c2cc(C(c3cc1c(O)cc3O)CCCCCCCCCCC)c(O)cc2O)CCCCCCCCCCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCCCCCCCCCCC1c2cc(c(cc2O)O)C(CCCCCCCCCCC)c2cc(c(cc2O)O)C(c2cc(C(c3cc1c(O)cc3O)CCCCCCCCCCC)c(O)cc2O)CCCCCCCCCCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__