Chemical ID: 5100479

Cc1ccc(cc1C(CC(=O)O)N)Cl
Chemical ID:
5100479
Name [?]:
3-amino-3-(5-chloro-2-methyl-phenyl)-propanoic acid
SMILES [?]:
Cc1ccc(cc1C(CC(=O)O)N)Cl
InChi [?]:
InChI=1/C10H12ClNO2/c1-6-2-3-7(11)4-8(6)9(12)5-10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,9,2,5,7,8,10,14,13,11,12/E:(13,14)/rA:14cCCCCCCCCCCOONCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s8;s5;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12ClNO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.47833
Area:384.466
Solvation:-2.13331
Coulombic:-39.0507
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:213.661
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.85
LogP (Chemaxon):-0.35

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Descriptor Annotations

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