Chemical ID: 5851988

c1ccc(cc1)CC(=O)NC(Cc2ccc(cc2)Cl)C(=O)[O-]
Chemical ID:
5851988
Name [?]:
3-(4-chlorophenyl)-2-(2-phenylacetyl)amino-propanoate
SMILES [?]:
c1ccc(cc1)CC(=O)NC(Cc2ccc(cc2)Cl)C(=O)[O-]
InChi [?]:
InChI=1/C17H16ClNO3/c18-14-8-6-13(7-9-14)10-15(17(21)22)19-16(20)11-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,19,20)(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,18,15,17,12,7,4,13,16,11,8,20,19,10,9,21,22/E:(2,3)(4,5)(6,7)(8,9)(21,22)/rA:22cCCCCCCCCONCCCCCCCCClCOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;s11;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15ClNO3-
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:-31.9229
Area:530.206
Solvation:-45.178
Coulombic:-22.4037
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:316.759
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.73
LogP (Chemaxon):3.34

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