Chemical ID: 6646609

CC(=O)NN=Cc1ccc(cc1)OC(=O)c2cccc3c2cccc3
Chemical ID:
6646609
Name [?]:
[4-(acetamidoiminomethyl)phenyl] naphthalene-1-carboxylate
SMILES [?]:
CC(=O)NN=Cc1ccc(cc1)OC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C20H16N2O3/c1-14(23)22-21-13-15-9-11-17(12-10-15)25-20(24)19-8-4-6-16-5-2-3-7-18(16)19/h2-13H,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,23,18,25,19,22,17,8,12,9,11,6,2,7,20,10,21,16,14,5,4,3,15,13/E:(9,10)(11,12)/rA:25nCCONNCCCCCCCOCOCCCCCCCCCC/rB:s1;d2;s2;s4;w5;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.69082
Area:550.042
Solvation:-4.06024
Coulombic:-39.0373
Bond Count [?]
All:27
Single:16
Double:11
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:332.353
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.04
LogP (Chemaxon):3.74

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