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Chemical ID: 3966181
Chemical ID:
3966181
Name [?]:
N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine
SMILES [?]:
C1CNP(=O)(OC1)N(CCCl)CCCl
InChi [?]:
InChI=1/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,10,13,2,9,12,7,11,14,3,8,5,6,4/E:(2,3)(5,6)(8,9)/rA:14cCCNPOOCNCCClCCCl/rB:s1;s2;s3;d4;s4;s1s6;s4;s8;s9;s10;s8;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H15Cl2N2O2P |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.83487 |
Area: | 424.825 |
Solvation: | -2.78575 |
Coulombic: | -36.1312 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 261.085 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.84 |
LogP (Chemaxon): | 0.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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