AE81978
1654-34-8 | 3-(Dimethylamino)-7-nitro-1H-indole
Manufacturer: A2B Chem
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CatalogNumber
AE81978
ChemicalName
3-(Dimethylamino)-7-nitro-1H-indole
CasNumber
1654-34-8
MolecularFormula
C11H13N3O2
MolecularWeight
219.2398
MdlNumber
MFCD01718873
Smiles
CN(Cc1c[nH]c2c1cccc2[N+](=O)[O-])C
NscNumber
70813
Complexity
264
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AE81978
ChemicalName: 3-(Dimethylamino)-7-nitro-1H-indole
CasNumber: 1654-34-8
MolecularFormula: C11H13N3O2
MolecularWeight: 219.2398
MdlNumber: MFCD01718873
Smiles: CN(Cc1c[nH]c2c1cccc2[N+](=O)[O-])C
NscNumber: 70813
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AE81978
ChemicalName:
3-(Dimethylamino)-7-nitro-1H-indole
CasNumber:
1654-34-8
MolecularFormula:
C11H13N3O2
MolecularWeight:
219.2398
MdlNumber:
MFCD01718873
Smiles:
CN(Cc1c[nH]c2c1cccc2[N+](=O)[O-])C
NscNumber:
70813
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: __
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Smiles: C1C(CN(C1C(=O)O)C(=O)OCC2=CC=CC=C2)O
NscNumber: __
Complexity: __
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Smiles:
C1C(CN(C1C(=O)O)C(=O)OCC2=CC=CC=C2)O
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Complexity:
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Covalently-bondedUnitCount:
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RotatableBondCount:
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Smiles: c1ccc(cc1)c1ccc(cc1)c1nc2c(o1)cccc2
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Smiles:
c1ccc(cc1)c1ccc(cc1)c1nc2c(o1)cccc2
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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Xlogp3:
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CasNumber: __
MolecularFormula: __
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Smiles: CC1OC[C@@H]2[C@@H](O1)[C@H](O)[C@H](C(O2)O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1OC[C@@H]2[C@@H](O1)[C@H](O)[C@H](C(O2)O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__