Chemical ID: 5005262

CCCCCOC(=O)c1ccc(cc1)NC(=O)CCl
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

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Descriptor Annotations

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