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Chemical ID: 5005262
Chemical ID:
5005262
Name [?]:
pentyl 4-(2-chloroacetyl)aminobenzoate
SMILES [?]:
CCCCCOC(=O)c1ccc(cc1)NC(=O)CCl
InChi [?]:
InChI=1/C14H18ClNO3/c1-2-3-4-9-19-14(18)11-5-7-12(8-6-11)16-13(17)10-15/h5-8H,2-4,9-10H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,10,14,11,13,5,18,9,12,16,7,19,15,17,8,6/E:(5,6)(7,8)/rA:19nCCCCCOCOCCCCCCNCOCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18ClNO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.64291 |
Area: | 515.953 |
Solvation: | -3.2559 |
Coulombic: | -40.7897 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 283.75 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.37 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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