Chemical ID: 5185482

c1cc2c(cc1Cl)n(c(=O)o2)CN3CCCCC3
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

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Descriptor Annotations

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