Chemical ID: 7374512

c1ccc2cc(ccc2c1)NC(=O)COC(=O)c3ccc(cc3)CO
Chemical ID:
7374512
Name [?]:
2-naphthylcarbamoylmethyl 4-(hydroxymethyl)benzoate
SMILES [?]:
c1ccc2cc(ccc2c1)NC(=O)COC(=O)c3ccc(cc3)CO
InChi [?]:
InChI=1/C20H17NO4/c22-12-14-5-7-16(8-6-14)20(24)25-13-19(23)21-18-10-9-15-3-1-2-4-17(15)11-18/h1-11,22H,12-13H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,20,22,19,23,8,7,5,24,14,21,9,18,4,6,12,16,11,25,13,17,15/E:(5,6)(7,8)/rA:25nCCCCCCCCCCNCOCOCOCCCCCCCO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO4
All Atoms:42
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.25144
Area:563.484
Solvation:-4.83565
Coulombic:-58.7662
Bond Count [?]
All:27
Single:17
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:335.353
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.15
LogP (Chemaxon):3.14

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Descriptor Annotations

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