Chemical ID: 4702714

c1cc2c(cc1C#N)NC(=O)C3N2CCC3
Chemical ID:
4702714
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C#N)NC(=O)C3N2CCC3
InChi [?]:
InChI=1/C12H11N3O/c13-7-8-3-4-10-9(6-8)14-12(16)11-2-1-5-15(10)11/h3-4,6,11H,1-2,5H2,(H,14,16)
InChi Info:
AuxInfo=1/1/N:15,16,1,2,14,5,7,6,4,3,12,10,8,9,13,11/rA:16cCCCCCCCNNCOCNCCC/rB:s1;d2;s3;d4;d1s5;s6;t7;s4;s9;d10;s10;s3s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N3O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:6.8301
Area:377.716
Solvation:-2.61279
Coulombic:-30.3101
Bond Count [?]
All:18
Single:13
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:213.235
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.28
LogP (Chemaxon):1.68

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