Chemical ID: 4249900

COc1ccccc1NC(=O)C2Cc3ccccc3C(=O)O2
Chemical ID:
4249900
Name [?]:
N-(2-methoxyphenyl)-1-oxo-isochroman-3-carboxamide
SMILES [?]:
COc1ccccc1NC(=O)C2Cc3ccccc3C(=O)O2
InChi [?]:
InChI=1/C17H15NO4/c1-21-14-9-5-4-8-13(14)18-16(19)15-10-11-6-2-3-7-12(11)17(20)22-15/h2-9,15H,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,16,17,6,5,15,18,7,4,13,14,19,8,3,12,10,20,9,11,21,2,22/rA:22cCOCCCCCCNCOCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s12s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:7.31092
Area:483.281
Solvation:-4.77109
Coulombic:-48.6418
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:297.305
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.56
LogP (Chemaxon):2.6

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Descriptor Annotations

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