Chemical ID: 4289748

c1ccc-2c(c1)CCCc3n2c(nn3)CC#N
Chemical ID:
4289748
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CCCc3n2c(nn3)CC#N
InChi [?]:
InChI=1/C13H12N4/c14-9-8-13-16-15-12-7-3-5-10-4-1-2-6-11(10)17(12)13/h1-2,4,6H,3,5,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,8,6,7,3,9,15,16,5,4,10,12,17,14,13,11/rA:17nCCCCCCCCCCNCNNCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s4s10;s11;d12;d10s13;s12;s15;t16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.48198
Area:392.779
Solvation:-2.33751
Coulombic:-12.0933
Bond Count [?]
All:19
Single:13
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:224.261
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.74
LogP (Chemaxon):1.44

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Descriptor Annotations

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