AG24398
52191-26-1 | 3-(2-(Chloroacetamido)ethyl)indole
Manufacturer: A2B Chem
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CatalogNumber
AG24398
ChemicalName
3-(2-(Chloroacetamido)ethyl)indole
CasNumber
52191-26-1
MolecularFormula
C12H13ClN2O
MolecularWeight
236.6974
MdlNumber
MFCD00120131
Smiles
ClCC(=O)NCCc1c[nH]c2c1cccc2
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
2.4
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CatalogNumber: AG24398
ChemicalName: 3-(2-(Chloroacetamido)ethyl)indole
CasNumber: 52191-26-1
MolecularFormula: C12H13ClN2O
MolecularWeight: 236.6974
MdlNumber: MFCD00120131
Smiles: ClCC(=O)NCCc1c[nH]c2c1cccc2
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AG24398
ChemicalName:
3-(2-(Chloroacetamido)ethyl)indole
CasNumber:
52191-26-1
MolecularFormula:
C12H13ClN2O
MolecularWeight:
236.6974
MdlNumber:
MFCD00120131
Smiles:
ClCC(=O)NCCc1c[nH]c2c1cccc2
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.4
CatalogNumber: AG24399
ChemicalName: 4,5-Dimethoxy-2-nitrobenzamide
CasNumber: 4959-60-8
MolecularFormula: C9H10N2O5
MolecularWeight: 226.1861
MdlNumber: MFCD00171550
Smiles: COc1cc([N+](=O)[O-])c(cc1OC)C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AG24399
ChemicalName:
4,5-Dimethoxy-2-nitrobenzamide
CasNumber:
4959-60-8
MolecularFormula:
C9H10N2O5
MolecularWeight:
226.1861
MdlNumber:
MFCD00171550
Smiles:
COc1cc([N+](=O)[O-])c(cc1OC)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]S(=O)(=O)c1cccc2c1cccc2S(=O)(=O)[O-].CC(=O)OC(C(=O)OCC[N+](C)(C)C)C.CC(=O)OC(C(=O)OCC[N+](C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]S(=O)(=O)c1cccc2c1cccc2S(=O)(=O)[O-].CC(=O)OC(C(=O)OCC[N+](C)(C)C)C.CC(=O)OC(C(=O)OCC[N+](C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1Cl)Cl
Complexity: 108
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1Cl)Cl
Complexity:
108
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3