Chemical ID: 4751180

Cc1ccc(c(c1)[N+](=O)[O-])OCC(CNCc2ccc(cc2)OC)O
Chemical ID:
4751180
Name [?]:
1-[(4-methoxyphenyl)methylamino]-3-(4-methyl-2-nitro-phenoxy)-propan-2-ol
SMILES [?]:
Cc1ccc(c(c1)[N+](=O)[O-])OCC(CNCc2ccc(cc2)OC)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H22N2O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:0.805789
Area:588.1
Solvation:-13.8967
Coulombic:-49.3867
Bond Count [?]
All:26
Single:19
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:346.378
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.71
LogP (Chemaxon):2.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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