Chemical ID: 4768953

CCCN1C(C(c2ccccc2C1=O)C(=O)O)c3ccc(cc3)OC
Chemical ID:
4768953
Name [?]:
3-(4-methoxyphenyl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid
SMILES [?]:
CCCN1C(C(c2ccccc2C1=O)C(=O)O)c3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:8.37777
Area:501.421
Solvation:-4.15776
Coulombic:-52.6869
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:339.385
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.09
LogP (Chemaxon):3.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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