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Chemical ID: 6685457
Chemical ID:
6685457
Name [?]:
2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-1H-pteridin-4-one
SMILES [?]:
CC(C(C1=Nc2c([nH]c(nc2=O)N)NC1)O)O
InChi [?]:
InChI=1/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)
InChi Info:
AuxInfo=1/1/N:1,15,2,4,6,3,7,11,9,13,14,5,8,10,17,16,12/rA:17cCCCCNCCNCNCONNCOO/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s6s10;d11;s9;s7;s4s14;s3;s2;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13N5O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.35792 |
Area: | 393.954 |
Solvation: | -4.49093 |
Coulombic: | -93.7745 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 239.231 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 6 |
XLogP: | -1.78 |
LogP (Chemaxon): | -0.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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