Chemical ID: 6435305

c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
Chemical ID:
6435305
Name [?]:
3-[[6-(4-bromophenyl)amino-1,2,4,5-tetrazin-3-yl]amino]propan-1-ol
SMILES [?]:
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
InChi [?]:
InChI=1/C11H13BrN6O/c12-8-2-4-9(5-3-8)14-11-17-15-10(16-18-11)13-6-1-7-19/h2-5,19H,1,6-7H2,(H,13,15,16)(H,14,17,18)
InChi Info:
AuxInfo=1/1/N:16,2,4,1,5,15,17,3,6,11,8,19,14,7,10,12,9,13,18/E:(2,3)(4,5)(15,16)(17,18)/rA:19nCCCCCCNCNNCNNNCCCOBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13BrN6O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.57981
Area:482.56
Solvation:-2.48419
Coulombic:-53.083
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:325.165
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.44
LogP (Chemaxon):0.33

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