Chemical ID: 6677588

CC(C(C(=O)O)NCc1ccc(cc1)Cl)O
Chemical ID:
6677588
Name [?]:
2-[(4-chlorophenyl)methylamino]-3-hydroxy-butanoic acid
SMILES [?]:
CC(C(C(=O)O)NCc1ccc(cc1)Cl)O
InChi [?]:
InChI=1/C11H14ClNO3/c1-7(14)10(11(15)16)13-6-8-2-4-9(12)5-3-8/h2-5,7,10,13-14H,6H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,10,14,11,13,8,2,9,12,3,4,15,7,16,5,6/E:(2,3)(4,5)(15,16)/rA:16cCCCCOONCCCCCCCClO/rB:s1;s2;s3;d4;s4;s3;s7;s8;s9;d10;s11;d12;d9s13;s12;s2;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14ClNO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:7.19944
Area:429.222
Solvation:-3.53111
Coulombic:-53.4626
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:243.686
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.39
LogP (Chemaxon):-0.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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