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Chemical ID: 5241313
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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