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Chemical ID: 4292345
Chemical ID:
4292345
Name [?]:
N-(2-chlorophenyl)propanamide
SMILES [?]:
CCC(=O)Nc1ccccc1Cl
InChi [?]:
InChI=1/C9H10ClNO/c1-2-9(12)11-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,9,8,10,7,11,6,3,12,5,4/rA:12nCCCONCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10ClNO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.18302 |
Area: | 347.929 |
Solvation: | -1.5152 |
Coulombic: | -21.4657 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 183.635 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.15 |
LogP (Chemaxon): | 1.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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