Chemical ID: 6689488

c1cc2c(cc1Cl)N(C(=O)CO2)CCC(=O)O
Chemical ID:
6689488
Name [?]:
3-(8-chloro-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-6,8,10-trien-5-yl)propanoic acid
SMILES [?]:
c1cc2c(cc1Cl)N(C(=O)CO2)CCC(=O)O
InChi [?]:
InChI=1/C11H10ClNO4/c12-7-1-2-9-8(5-7)13(4-3-11(15)16)10(14)6-17-9/h1-2,5H,3-4,6H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,5,11,6,4,3,9,15,7,8,10,16,17,12/E:(15,16)/rA:17nCCCCCCClNCOCOCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s9;s3s11;s8;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10ClNO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.19473
Area:424.29
Solvation:-3.41251
Coulombic:-50.2051
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:255.654
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.96
LogP (Chemaxon):0.84

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