Chemical ID: 6644204

CC(=O)NN=Cc1ccc(cc1)OC(=O)c2ccccc2
Chemical ID:
6644204
Name [?]:
[4-(acetamidoiminomethyl)phenyl] benzoate
SMILES [?]:
CC(=O)NN=Cc1ccc(cc1)OC(=O)c2ccccc2
InChi [?]:
InChI=1/C16H14N2O3/c1-12(19)18-17-11-13-7-9-15(10-8-13)21-16(20)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,21,8,12,9,11,6,2,7,16,10,14,5,4,3,15,13/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCCONNCCCCCCCOCOCCCCCC/rB:s1;d2;s2;s4;w5;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.32844
Area:496.088
Solvation:-4.07377
Coulombic:-38.0931
Bond Count [?]
All:22
Single:13
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:282.294
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.78
LogP (Chemaxon):2.74

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Descriptor Annotations

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