Chemical ID: 6644106

c1cc(ccc1C=NNC(=O)c2ccc(cc2)Cl)OC(=O)c3ccc(cc3)Cl
Chemical ID:
6644106
Name [?]:
[4-[(4-chlorobenzoyl)aminoiminomethyl]phenyl] 4-chlorobenzoate
SMILES [?]:
c1cc(ccc1C=NNC(=O)c2ccc(cc2)Cl)OC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H14Cl2N2O3/c22-17-7-3-15(4-8-17)20(26)25-24-13-14-1-11-19(12-2-14)28-21(27)16-5-9-18(23)10-6-16/h1-13H,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,5,13,17,23,27,14,16,24,26,2,4,7,6,12,22,15,25,3,10,20,18,28,8,9,11,21,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:28nCCCCCCCNNCOCCCCCCClOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s3;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14Cl2N2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.187
Area:641.766
Solvation:-3.85716
Coulombic:-41.8771
Bond Count [?]
All:30
Single:18
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:413.253
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.74
LogP (Chemaxon):5.51

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue