Chemical ID: 6420931

CC1C(N1CC(Cn2ccnc2[N+](=O)[O-])O)C
Chemical ID:
6420931
Name [?]:
1-(2,3-dimethylaziridin-1-yl)-3-(2-nitroimidazol-1-yl)-propan-2-ol
SMILES [?]:
CC1C(N1CC(Cn2ccnc2[N+](=O)[O-])O)C
InChi [?]:
InChI=1/C10H16N4O3/c1-7-8(2)13(7)6-9(15)5-12-4-3-11-10(12)14(16)17/h3-4,7-9,15H,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,10,9,7,5,2,3,6,12,11,8,4,13,16,14,15/E:(1,2)(7,8)(16,17)/CRV:14.5/rA:17cCCCNCCCNCCNCN+OO-OC/rB:s1;s2;s2s3;s4;s5;s6;s7;s8;d9;s10;s8d11;s12;d13;s13;s6;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H16N4O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:3
ZAP Information [?]
Total:3.40445
Area:422.58
Solvation:-7.16003
Coulombic:-52.4984
Bond Count [?]
All:18
Single:15
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:240.259
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.1
LogP (Chemaxon):1.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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