Chemical ID: 7434318

c1ccc2c(c1)c3c(n2CCCN)nc4ccccc4n3
Chemical ID:
7434318
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(n2CCCN)nc4ccccc4n3
InChi [?]:
InChI=1/C17H16N4/c18-10-5-11-21-15-9-4-1-6-12(15)16-17(21)20-14-8-3-2-7-13(14)19-16/h1-4,6-9H,5,10-11,18H2
InChi Info:
AuxInfo=1/0/N:1,18,17,2,11,6,19,16,3,12,10,5,20,15,4,7,8,13,21,14,9/rA:21nCCCCCCCCNCCCNNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s10;s11;s12;d8;s14;s15;d16;s17;d18;d15s19;d7s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N4
All Atoms:37
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.94389
Area:472.522
Solvation:-1.86916
Coulombic:-32.742
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:276.336
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.66
LogP (Chemaxon):3.36

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