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Chemical ID: 6913953
Chemical ID:
6913953
Name [?]:
2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one
SMILES [?]:
CC(C(C1=Nc2c(=O)[nH]c(nc2NC1)N)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:1,14,2,4,6,3,12,7,10,15,13,5,11,9,17,16,8/rA:17cCCCCNCCONCNCNCNOO/rB:s1;s2;s3;d4;s5;s6;d7;s7;s9;d10;d6s11;s12;s4s13;s10;s3;s2;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13N5O3 |
All Atoms: | 30 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.89463 |
Area: | 396.665 |
Solvation: | -4.022 |
Coulombic: | -93.8777 |
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: | -2.74 |
LogP (Chemaxon): | -0.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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