Chemical ID: 3969183

Cn1c2ccc3c(c2nc1N)cccn3
Chemical ID:
3969183
Name [?]:
None
SMILES [?]:
Cn1c2ccc3c(c2nc1N)cccn3
InChi [?]:
InChI=1/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)
InChi Info:
AuxInfo=1/1/N:1,13,12,5,4,14,7,6,3,8,10,11,15,9,2/rA:15nCNCCCCCCNCNCCCN/rB:s1;s2;s3;d4;s5;s6;d3s7;s8;s2d9;s10;d7;s12;d13;d6s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.94295
Area:354.329
Solvation:-1.91528
Coulombic:-33.6837
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:198.224
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.4
LogP (Chemaxon):2.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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