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Chemical ID: 7449802
Chemical ID:
7449802
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CCc3n2c(nn3)c4cccnc4
InChi [?]:
InChI=1/C15H12N4/c1-2-6-13-11(4-1)7-8-14-17-18-15(19(13)14)12-5-3-9-16-10-12/h1-6,9-10H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,16,6,15,3,7,8,17,19,5,14,4,9,11,18,13,12,10/rA:19nCCCCCCCCCNCNNCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;d11;d9s12;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12N4 |
All Atoms: | 31 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.02706 |
Area: | 403.406 |
Solvation: | -2.05808 |
Coulombic: | -15.9217 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 248.283 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.53 |
LogP (Chemaxon): | 1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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