Chemical ID: 5003436

Cc1cccc2c1nc3c(c2N)CCC3
Chemical ID:
5003436
Name [?]:
None
SMILES [?]:
Cc1cccc2c1nc3c(c2N)CCC3
InChi [?]:
InChI=1/C13H14N2/c1-8-4-2-6-10-12(14)9-5-3-7-11(9)15-13(8)10/h2,4,6H,3,5,7H2,1H3,(H2,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,14,3,13,5,15,2,10,6,9,11,7,12,8/rA:15nCCCCCCCNCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;s10;s13;s9s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.68051
Area:358.127
Solvation:-1.27267
Coulombic:-22.3576
Bond Count [?]
All:17
Single:12
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:198.264
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.88
LogP (Chemaxon):2.58

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Descriptor Annotations

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