AD48837
3414-64-0 | 5-Nitrogramine
Manufacturer: A2B Chem
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CatalogNumber
AD48837
ChemicalName
5-Nitrogramine
CasNumber
3414-64-0
MolecularFormula
C11H13N3O2
MolecularWeight
219.2398
MdlNumber
MFCD00544197
Smiles
CN(Cc1c[nH]c2c1cc(cc2)[N+](=O)[O-])C
NscNumber
56889
Complexity
264
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AD48837
ChemicalName: 5-Nitrogramine
CasNumber: 3414-64-0
MolecularFormula: C11H13N3O2
MolecularWeight: 219.2398
MdlNumber: MFCD00544197
Smiles: CN(Cc1c[nH]c2c1cc(cc2)[N+](=O)[O-])C
NscNumber: 56889
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AD48837
ChemicalName:
5-Nitrogramine
CasNumber:
3414-64-0
MolecularFormula:
C11H13N3O2
MolecularWeight:
219.2398
MdlNumber:
MFCD00544197
Smiles:
CN(Cc1c[nH]c2c1cc(cc2)[N+](=O)[O-])C
NscNumber:
56889
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7
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Smiles: SCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Smiles:
SCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Smiles: O=C1OCc2c(C1)cc1c(c2)OCO1
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Smiles:
O=C1OCc2c(C1)cc1c(c2)OCO1
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Smiles: CCc1cccc(c1)C#N
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Smiles:
CCc1cccc(c1)C#N
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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