Chemical ID: 7449802

c1ccc-2c(c1)CCc3n2c(nn3)c4cccnc4
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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