Chemical ID: 3966226

c1ccc(cc1)CC(C(=O)O)N
Chemical ID:
3966226
Name [?]:
2-amino-3-phenyl-propanoic acid
SMILES [?]:
c1ccc(cc1)CC(C(=O)O)N
InChi [?]:
InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,4,8,9,12,10,11/E:(2,3)(4,5)(11,12)/rA:12cCCCCCCCCCOON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s8;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.4285
Area:335.308
Solvation:-1.95419
Coulombic:-40.4787
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:165.189
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-1.38
LogP (Chemaxon):-1.14

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Descriptor Annotations

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