Chemical ID: 5603601

c1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccccc3Cl
Chemical ID:
5603601
Name [?]:
[4-[(2-chlorobenzoyl)aminoiminomethyl]phenyl] benzoate
SMILES [?]:
c1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C21H15ClN2O3/c22-19-9-5-4-8-18(19)20(25)24-23-14-15-10-12-17(13-11-15)27-21(26)16-6-2-1-3-7-16/h1-14H,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,24,3,5,22,25,12,14,11,15,16,13,4,10,21,26,19,7,27,17,18,20,8,9/E:(2,3)(6,7)(10,11)(12,13)/rA:27nCCCCCCCOOCCCCCCCNNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15ClN2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8473
Area:596.058
Solvation:-4.05412
Coulombic:-41.6077
Bond Count [?]
All:29
Single:17
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:378.808
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.12
LogP (Chemaxon):4.99

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