Chemical ID: 4691765

c1ccc2c(c1)c(=O)oc(n2)Nc3ccccc3Cl
Chemical ID:
4691765
Name [?]:
3-(2-chlorophenyl)amino-4-oxa-2-azabicyclo[4.4.0]deca-2,7,9,11-tetraen-5-one
SMILES [?]:
c1ccc2c(c1)c(=O)oc(n2)Nc3ccccc3Cl
InChi [?]:
InChI=1/C14H9ClN2O2/c15-10-6-2-4-8-12(10)17-14-16-11-7-3-1-5-9(11)13(18)19-14/h1-8H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,2,15,6,17,3,14,5,18,4,13,7,10,19,11,12,8,9/rA:19nCCCCCCCOOCNNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4d10;s10;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9ClN2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.29918
Area:438.873
Solvation:-1.67265
Coulombic:-40.209
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:272.686
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.55
LogP (Chemaxon):3.5

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