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Chemical ID: 5851988
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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