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Chemical ID: 4992391
Chemical ID:
4992391
Name [?]:
5-benzylpyrimidine-2,4-diol
SMILES [?]:
c1ccc(cc1)Cc2cnc(nc2O)O
InChi [?]:
InChI=1/C11H10N2O2/c14-10-9(7-12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,9,4,8,13,11,10,12,14,15/E:(2,3)(4,5)/rA:15nCCCCCCCCCNCNCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.29553 |
Area: | 368.223 |
Solvation: | -2.91005 |
Coulombic: | -46.3915 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 202.209 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.13 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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