Chemical ID: 5241313

c1nc(c2c(n1)n(cn2)CC(CBr)O)N
Chemical ID:
5241313
Name [?]:
1-(6-aminopurin-9-yl)-3-bromo-propan-2-ol
SMILES [?]:
c1nc(c2c(n1)n(cn2)CC(CBr)O)N
InChi [?]:
InChI=1/C8H10BrN5O/c9-1-5(15)2-14-4-13-6-7(10)11-3-12-8(6)14/h3-5,15H,1-2H2,(H2,10,11,12)
InChi Info:
AuxInfo=1/1/N:12,10,1,8,11,4,3,5,13,15,2,6,9,7,14/rA:15cCNCCCNNCNCCCBrON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s7;s10;s11;s12;s11;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10BrN5O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.26161
Area:389.676
Solvation:-3.48028
Coulombic:-55.2595
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:272.102
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:0.4
LogP (Chemaxon):0.4

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Descriptor Annotations

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