Chemical ID: 5037364

CCCn1cnc2c1ncnc2N
Chemical ID:
5037364
Name [?]:
9-propylpurin-6-amine
SMILES [?]:
CCCn1cnc2c1ncnc2N
InChi [?]:
InChI=1/C8H11N5/c1-2-3-13-5-12-6-7(9)10-4-11-8(6)13/h4-5H,2-3H2,1H3,(H2,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,3,10,5,7,12,8,13,11,9,6,4/rA:13nCCCNCNCCNCNCN/rB:s1;s2;s3;s4;d5;s6;s4s7;d8;s9;d10;d7s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11N5
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.08857
Area:344.223
Solvation:-1.51701
Coulombic:-39.8979
Bond Count [?]
All:14
Single:10
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:177.207
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:0.75
LogP (Chemaxon):0.82

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Descriptor Annotations

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