Chemical ID: 6919886

c1c(c(=O)[nH]c(=O)[nH]1)N(CCCl)CCCl
Chemical ID:
6919886
Name [?]:
5-[bis(2-chloroethyl)amino]-1H-pyrimidine-2,4-dione
SMILES [?]:
c1c(c(=O)[nH]c(=O)[nH]1)N(CCCl)CCCl
InChi [?]:
InChI=1/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)
InChi Info:
AuxInfo=1/1/N:11,14,10,13,1,2,3,6,12,15,8,5,9,4,7/E:(1,2)(3,4)(9,10)/rA:15nCCCONCONNCCClCCCl/rB:d1;s2;d3;s3;s5;d6;s1s6;s2;s9;s10;s11;s9;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11Cl2N3O2
All Atoms:26
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.03977
Area:422.471
Solvation:-2.522
Coulombic:-51.0381
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:252.097
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.19
LogP (Chemaxon):1.42

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