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Chemical ID: 5185482
Chemical ID:
5185482
Name [?]:
5-chloro-3-(1-piperidylmethyl)benzooxazol-2-one
SMILES [?]:
c1cc2c(cc1Cl)n(c(=O)o2)CN3CCCCC3
InChi [?]:
InChI=1/C13H15ClN2O2/c14-10-4-5-12-11(8-10)16(13(17)18-12)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2
InChi Info:
AuxInfo=1/0/N:16,15,17,1,2,14,18,5,12,6,4,3,9,7,13,8,10,11/E:(2,3)(6,7)/rA:18nCCCCCCClNCOOCNCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s3s9;s8;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15ClN2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.89953 |
Area: | 436.357 |
Solvation: | -2.00939 |
Coulombic: | -33.9931 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 266.723 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.61 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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