AB47877
896466-04-9 | AT9283
Manufacturer: A2B Chem
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CatalogNumber
AB47877
ChemicalName
AT9283
CasNumber
896466-04-9
MolecularFormula
C19H23N7O2
MolecularWeight
381.4316
MdlNumber
MFCD12031513
Smiles
O=C(Nc1c[nH]nc1c1nc2c([nH]1)ccc(c2)CN1CCOCC1)NC1CC1
Complexity
554
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
4
RotatableBondCount
5
Xlogp3
0.5
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CatalogNumber: AB47877
ChemicalName: AT9283
CasNumber: 896466-04-9
MolecularFormula: C19H23N7O2
MolecularWeight: 381.4316
MdlNumber: MFCD12031513
Smiles: O=C(Nc1c[nH]nc1c1nc2c([nH]1)ccc(c2)CN1CCOCC1)NC1CC1
Complexity: 554
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 4
RotatableBondCount: 5
Xlogp3: 0.5
CatalogNumber:
AB47877
ChemicalName:
AT9283
CasNumber:
896466-04-9
MolecularFormula:
C19H23N7O2
MolecularWeight:
381.4316
MdlNumber:
MFCD12031513
Smiles:
O=C(Nc1c[nH]nc1c1nc2c([nH]1)ccc(c2)CN1CCOCC1)NC1CC1
Complexity:
554
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
4
RotatableBondCount:
5
Xlogp3:
0.5
CatalogNumber: AB47878
ChemicalName: 2-Bromo-3-fluoro-5-(trifluoromethyl)pyridine
CasNumber: 89402-29-9
MolecularFormula: C6H2BrF4N
MolecularWeight: 243.9844
MdlNumber: MFCD10699118
Smiles: Brc1ncc(cc1F)C(F)(F)F
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
AB47878
ChemicalName:
2-Bromo-3-fluoro-5-(trifluoromethyl)pyridine
CasNumber:
89402-29-9
MolecularFormula:
C6H2BrF4N
MolecularWeight:
243.9844
MdlNumber:
MFCD10699118
Smiles:
Brc1ncc(cc1F)C(F)(F)F
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: AB47879
ChemicalName: 12-Bromododec-1-ene
CasNumber: 99828-63-4
MolecularFormula: C12H23Br
MolecularWeight: 247.215
MdlNumber: MFCD28125802
Smiles: BrCCCCCCCCCCC=C
Complexity: 99.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: 10
Xlogp3: 6.5
CatalogNumber:
AB47879
ChemicalName:
12-Bromododec-1-ene
CasNumber:
99828-63-4
MolecularFormula:
C12H23Br
MolecularWeight:
247.215
MdlNumber:
MFCD28125802
Smiles:
BrCCCCCCCCCCC=C
Complexity:
99.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
10
Xlogp3:
6.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C[C@@H](C(=O)O)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C[C@@H](C(=O)O)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__