Chemical ID: 5559042

Cc1ccc(cc1)C(=O)OCC(=O)Nc2ccc3ccccc3c2
Chemical ID:
5559042
Name [?]:
2-naphthylcarbamoylmethyl 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)OCC(=O)Nc2ccc3ccccc3c2
InChi [?]:
InChI=1/C20H17NO3/c1-14-6-8-16(9-7-14)20(23)24-13-19(22)21-18-11-10-15-4-2-3-5-17(15)12-18/h2-12H,13H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,3,7,4,6,17,16,24,11,2,18,5,23,15,12,8,14,13,9,10/E:(6,7)(8,9)/rA:24nCCCCCCCCOOCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.1813
Area:540.968
Solvation:-3.34286
Coulombic:-42.848
Bond Count [?]
All:26
Single:16
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:319.354
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.4
LogP (Chemaxon):4.15

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Descriptor Annotations

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