Chemical ID: 5506812

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)c4ccc(c(c4)[N+](=O)[O-])N
Chemical ID:
5506812
Name [?]:
1-(1-adamantyl)ethylcarbamoylmethyl 4-amino-3-nitro-benzoate
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)c4ccc(c(c4)[N+](=O)[O-])N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H27N3O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:6.82088
Area:610.846
Solvation:-8.45026
Coulombic:-69.6732
Bond Count [?]
All:32
Single:26
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:401.456
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:4.87
LogP (Chemaxon):3.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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