Chemical ID: 4120767

c1cncc2c1nc3c(c2)CN(CC3)C(=O)CCC(=O)O
Chemical ID:
4120767
Name [?]:
None
SMILES [?]:
c1cncc2c1nc3c(c2)CN(CC3)C(=O)CCC(=O)O
InChi [?]:
InChI=1/C15H15N3O3/c19-14(1-2-15(20)21)18-6-4-13-11(9-18)7-10-8-16-5-3-12(10)17-13/h3,5,7-8H,1-2,4,6,9H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:17,18,1,14,2,13,10,4,11,5,9,6,8,15,19,3,7,12,16,20,21/E:(20,21)/rA:21nCCNCCCNCCCCNCCCOCCCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s5d9;s9;s11;s12;s8s13;s12;d15;s15;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N3O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.8323
Area:474.915
Solvation:-4.04057
Coulombic:-48.805
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:285.298
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-0.28
LogP (Chemaxon):-0.45

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