Chemical ID: 7000311

c1ccc(cc1)C(=O)Oc2cccc(c2)C=NNC(=O)c3ccncc3
Chemical ID:
7000311
Name [?]:
[3-(4-pyridylcarbonylaminoiminomethyl)phenyl] benzoate
SMILES [?]:
c1ccc(cc1)C(=O)Oc2cccc(c2)C=NNC(=O)c3ccncc3
InChi [?]:
InChI=1/C20H15N3O3/c24-19(16-9-11-21-12-10-16)23-22-14-15-5-4-8-18(13-15)26-20(25)17-6-2-1-3-7-17/h1-14H,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,3,5,11,22,26,23,25,15,16,14,21,4,10,19,7,24,17,18,20,8,9/E:(2,3)(6,7)(9,10)(11,12)/rA:26nCCCCCCCOOCCCCCCCNNCOCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;w16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15N3O3
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2846
Area:593.865
Solvation:-4.56202
Coulombic:-44.4871
Bond Count [?]
All:28
Single:16
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:345.352
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.24
LogP (Chemaxon):3.16

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Descriptor Annotations

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