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Chemical ID: 4309812
Chemical ID:
4309812
Name [?]:
N-benzo[1,3]dioxol-5-yl-2-(4-chlorophenyl)-acetamide
SMILES [?]:
c1cc(ccc1CC(=O)Nc2ccc3c(c2)OCO3)Cl
InChi [?]:
InChI=1/C15H12ClNO3/c16-11-3-1-10(2-4-11)7-15(18)17-12-5-6-13-14(8-12)20-9-19-13/h1-6,8H,7,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,13,7,16,18,6,3,11,14,15,8,20,10,9,19,17/E:(1,2)(3,4)/rA:20nCCCCCCCCONCCCCCCOCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClNO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.94366 |
Area: | 476.585 |
Solvation: | -3.97097 |
Coulombic: | -36.8341 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 289.713 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.18 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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