Chemical ID: 4712605

c1cc2c(nc1)NC(=O)C(O2)CCCl
Chemical ID:
4712605
Name [?]:
3-(2-chloroethyl)-2-oxa-5,7-diazabicyclo[4.4.0]deca-6,8,10-trien-4-one
SMILES [?]:
c1cc2c(nc1)NC(=O)C(O2)CCCl
InChi [?]:
InChI=1/C9H9ClN2O2/c10-4-3-7-9(13)12-8-6(14-7)2-1-5-11-8/h1-2,5,7H,3-4H2,(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,6,3,10,4,8,14,5,7,9,11/rA:14cCCCCNCNCOCOCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s3s10;s10;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9ClN2O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.70206
Area:372.642
Solvation:-2.61399
Coulombic:-35.2087
Bond Count [?]
All:15
Single:11
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:212.633
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.36
LogP (Chemaxon):1.17

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