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Chemical ID: 4501553
Chemical ID:
4501553
Name [?]:
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
SMILES [?]:
c1ccc(c(c1)CNC(=O)C2CC2)Cl
InChi [?]:
InChI=1/C11H12ClNO/c12-10-4-2-1-3-9(10)7-13-11(14)8-5-6-8/h1-4,8H,5-7H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,13,7,11,5,4,9,14,8,10/E:(5,6)/rA:14nCCCCCCCNCOCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s11s12;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12ClNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09743 |
Area: | 391.877 |
Solvation: | -1.69949 |
Coulombic: | -22.4887 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 209.672 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.25 |
LogP (Chemaxon): | 2.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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