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Chemical ID: 5190831
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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