Chemical ID: 7703117

c1ccc(cc1)C=NNC(=O)c2ccccc2OCc3ccc(cc3)Cl
Chemical ID:
7703117
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C=NNC(=O)c2ccccc2OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H17ClN2O2/c22-18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)21(25)24-23-14-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,3,5,13,16,21,25,22,24,7,19,4,20,23,12,17,10,26,8,9,11,18/E:(2,3)(6,7)(10,11)(12,13)/rA:26nCCCCCCCNNCOCCCCCCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17ClN2O2
All Atoms:43
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:9.68779
Area:611.81
Solvation:-5.60746
Coulombic:-29.0587
Bond Count [?]
All:28
Single:17
Double:11
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:6.24
LogP (Chemaxon):None

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