Chemical ID: 6203083

CCC1C(=O)N(c2cc(ccc2O1)Cl)CC(=O)O
Chemical ID:
6203083
Name [?]:
2-(3-chloro-8-ethyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)acetic acid
SMILES [?]:
CCC1C(=O)N(c2cc(ccc2O1)Cl)CC(=O)O
InChi [?]:
InChI=1/C12H12ClNO4/c1-2-9-12(17)14(6-11(15)16)8-5-7(13)3-4-10(8)18-9/h3-5,9H,2,6H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,10,11,8,15,9,7,3,12,16,4,14,6,17,18,5,13/E:(15,16)/rA:18cCCCCONCCCCCCOClCCOO/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s3s12;s9;s6;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12ClNO4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.59597
Area:433.556
Solvation:-3.24294
Coulombic:-52.1171
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:269.681
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.68
LogP (Chemaxon):1.66

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