Chemical ID: 6351934

c1cc2c(cc1CNC(=O)CCCCl)OCO2
Chemical ID:
6351934
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-4-chloro-butanamide
SMILES [?]:
c1cc2c(cc1CNC(=O)CCCCl)OCO2
InChi [?]:
InChI=1/C12H14ClNO3/c13-5-1-2-12(15)14-7-9-3-4-10-11(6-9)17-8-16-10/h3-4,6H,1-2,5,7-8H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:12,11,1,2,13,5,7,16,6,3,4,9,14,8,10,17,15/rA:17nCCCCCCCNCOCCCClOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s4;s15;s3s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14ClNO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.6243
Area:458.474
Solvation:-3.83755
Coulombic:-36.885
Bond Count [?]
All:18
Single:14
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:255.697
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.13
LogP (Chemaxon):1.7

Name Annotations

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Descriptor Annotations

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