Chemical ID: 4554598

CCCCOc1ccc(cc1)CNC(=O)CCCCCC(=O)O
Chemical ID:
4554598
Name [?]:
7-[(4-butoxyphenyl)methylamino]-7-oxo-heptanoic acid
SMILES [?]:
CCCCOc1ccc(cc1)CNC(=O)CCCCCC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H27NO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.7166
Area:607.402
Solvation:-4.46842
Coulombic:-54.7887
Bond Count [?]
All:23
Single:18
Double:5
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:321.411
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.34
LogP (Chemaxon):2.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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