Chemical ID: 5212811

c1cc(ccc1CCC(C(=O)O)N)N(CCCl)CCCl
Chemical ID:
5212811
Name [?]:
2-amino-4-[4-[bis(2-chloroethyl)amino]phenyl]-butanoic acid
SMILES [?]:
c1cc(ccc1CCC(C(=O)O)N)N(CCCl)CCCl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H20Cl2N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:11.191
Area:555.862
Solvation:-2.70551
Coulombic:-47.744
Bond Count [?]
All:20
Single:16
Double:4
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:319.226
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.72
LogP (Chemaxon):0.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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