Chemical ID: 4907821

C1CCC(CC1)N2Cc3c(nc4c(n3)c(nc(n4)N)O)C2=O
Chemical ID:
4907821
Name [?]:
None
SMILES [?]:
C1CCC(CC1)N2Cc3c(nc4c(n3)c(nc(n4)N)O)C2=O
InChi [?]:
InChI=1/C14H16N6O2/c15-14-18-11-10(12(21)19-14)16-8-6-20(13(22)9(8)17-11)7-4-2-1-3-5-7/h7H,1-6H2,(H3,15,17,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,4,9,10,13,12,15,21,17,19,14,11,18,16,7,20,22/E:(2,3)(4,5)/rA:22nCCCCCCNCCCNCCNCNCNNOCO/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;d10;s11;s12;d9s13;d13;s15;d16;d12s17;s17;s15;s7s10;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N6O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.70851
Area:470.732
Solvation:-3.05979
Coulombic:-74.3956
Bond Count [?]
All:25
Single:19
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:300.316
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.84
LogP (Chemaxon):0.88

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Descriptor Annotations

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