Chemical ID: 5327768

c1c2c(cc(c1Cl)Cl)N3CCNCC3C(=O)N2
Chemical ID:
5327768
Name [?]:
None
SMILES [?]:
c1c2c(cc(c1Cl)Cl)N3CCNCC3C(=O)N2
InChi [?]:
InChI=1/C11H11Cl2N3O/c12-6-3-8-9(4-7(6)13)16-2-1-14-5-10(16)11(17)15-8/h3-4,10,14H,1-2,5H2,(H,15,17)
InChi Info:
AuxInfo=1/1/N:11,10,1,4,13,6,5,2,3,14,15,7,8,12,17,9,16/rA:17cCCCCCCClClNCCNCCCON/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s9;s10;s11;s12;s9s13;s14;d15;s2s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11Cl2N3O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:7.92993
Area:406.978
Solvation:-2.24452
Coulombic:-36.7378
Bond Count [?]
All:19
Single:15
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:272.13
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.7
LogP (Chemaxon):2.02

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