AH20471
7150-46-1 | 4-Nitrogramine
Manufacturer: A2B Chem
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CatalogNumber
AH20471
ChemicalName
4-Nitrogramine
CasNumber
7150-46-1
MolecularFormula
C11H13N3O2
MolecularWeight
219.2398
MdlNumber
MFCD00603180
Smiles
CN(Cc1c[nH]c2c1c(ccc2)[N+](=O)[O-])C
NscNumber
71845
Complexity
264
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AH20471
ChemicalName: 4-Nitrogramine
CasNumber: 7150-46-1
MolecularFormula: C11H13N3O2
MolecularWeight: 219.2398
MdlNumber: MFCD00603180
Smiles: CN(Cc1c[nH]c2c1c(ccc2)[N+](=O)[O-])C
NscNumber: 71845
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AH20471
ChemicalName:
4-Nitrogramine
CasNumber:
7150-46-1
MolecularFormula:
C11H13N3O2
MolecularWeight:
219.2398
MdlNumber:
MFCD00603180
Smiles:
CN(Cc1c[nH]c2c1c(ccc2)[N+](=O)[O-])C
NscNumber:
71845
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7
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Smiles: COc1cc(NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)OCc2ccccc2)CCCNC(=N)N)cc2c1cccc2
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Smiles:
COc1cc(NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)OCc2ccccc2)CCCNC(=N)N)cc2c1cccc2
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Smiles: Cn1c(cc2c1cccc2)c1ccc(cc1)C(F)(F)F
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Cn1c(cc2c1cccc2)c1ccc(cc1)C(F)(F)F
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Smiles: c1ccc(cc1)NCc1cccnc1
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Smiles:
c1ccc(cc1)NCc1cccnc1
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Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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