Chemical ID: 4715261

c1cc(cc(c1)Cl)C(CC(=O)O)N
Chemical ID:
4715261
Name [?]:
3-amino-3-(3-chlorophenyl)-propanoic acid
SMILES [?]:
c1cc(cc(c1)Cl)C(CC(=O)O)N
InChi [?]:
InChI=1/C9H10ClNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,9,3,5,8,10,7,13,11,12/E:(12,13)/rA:13cCCCCCCClCCCOON/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s10;s8;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10ClNO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.84667
Area:369.975
Solvation:-2.40271
Coulombic:-38.8724
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:199.634
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.41
LogP (Chemaxon):-0.82

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