Chemical ID: 5190831

C1COP(=O)(N(C1O)CCCl)NCCCl
Chemical ID:
5190831
Name [?]:
3-(2-chloroethyl)-2-(2-chloroethylamino)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-4-ol
SMILES [?]:
C1COP(=O)(N(C1O)CCCl)NCCCl
InChi [?]:
InChI=1/C7H15Cl2N2O3P/c8-2-4-10-15(13)11(5-3-9)7(12)1-6-14-15/h7,12H,1-6H2,(H,10,13)
InChi Info:
AuxInfo=1/1/N:1,14,10,13,9,2,7,15,11,12,6,8,5,3,4/rA:15cCCOPONCOCCClNCCCl/rB:s1;s2;s3;d4;s4;s1s6;s7;s6;s9;s10;s4;s12;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H15Cl2N2O3P
All Atoms:15
Heavy Atoms:15
Chiral Atoms:3
ZAP Information [?]
Total:7.04377
Area:438.17
Solvation:-3.91049
Coulombic:-52.0479
Bond Count [?]
All:15
Single:14
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:277.085
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.3
LogP (Chemaxon):0.5

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