Chemical ID: 4957417

CC(C(=O)O)N(CCCl)CCCl
Chemical ID:
4957417
Name [?]:
2-[bis(2-chloroethyl)amino]propanoic acid
SMILES [?]:
CC(C(=O)O)N(CCCl)CCCl
InChi [?]:
InChI=1/C7H13Cl2NO2/c1-6(7(11)12)10(4-2-8)5-3-9/h6H,2-5H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,8,11,7,10,2,3,9,12,6,4,5/E:(2,3)(4,5)(8,9)(11,12)/rA:12cCCCOONCCClCCCl/rB:s1;s2;d3;s3;s2;s6;s7;s8;s6;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H13Cl2NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:7.05607
Area:384.665
Solvation:-2.56055
Coulombic:-32.659
Bond Count [?]
All:11
Single:10
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:214.089
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.5
LogP (Chemaxon):-0.74

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