Chemical ID: 7406654

c1ccc(cc1)C2N=C(N=C3N2c4ccccc4S3)N
Chemical ID:
7406654
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2N=C(N=C3N2c4ccccc4S3)N
InChi [?]:
InChI=1/C15H12N4S/c16-14-17-13(10-6-2-1-3-7-10)19-11-8-4-5-9-12(11)20-15(19)18-14/h1-9,13H,(H2,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,16,3,5,14,17,4,13,18,7,9,11,20,8,10,12,19/E:(2,3)(6,7)/rA:20cCCCCCCCNCNCNCCCCCCSN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s7s11;s12;s13;d14;s15;d16;d13s17;s11s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N4S
All Atoms:32
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.38298
Area:439.376
Solvation:-1.60143
Coulombic:-39.6793
Bond Count [?]
All:23
Single:15
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:280.349
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.96
LogP (Chemaxon):5.33

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