Chemical ID: 4992391

c1ccc(cc1)Cc2cnc(nc2O)O
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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Descriptor Annotations

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