Chemical ID: 7375221

Cc1ccc(c(c1)O)C(=O)OCC(=O)Nc2ccc3ccccc3c2
Chemical ID:
7375221
Name [?]:
2-naphthylcarbamoylmethyl 2-hydroxy-4-methyl-benzoate
SMILES [?]:
Cc1ccc(c(c1)O)C(=O)OCC(=O)Nc2ccc3ccccc3c2
InChi [?]:
InChI=1/C20H17NO4/c1-13-6-9-17(18(22)10-13)20(24)25-12-19(23)21-16-8-7-14-4-2-3-5-15(14)11-16/h2-11,22H,12H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,21,22,20,23,3,18,17,4,7,25,12,2,19,24,16,5,6,13,9,15,8,14,10,11/rA:25nCCCCCCCOCOOCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO4
All Atoms:42
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.41072
Area:552.334
Solvation:-4.39764
Coulombic:-57.5634
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.353
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.98
LogP (Chemaxon):4.51

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Descriptor Annotations

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