Chemical ID: 7667996

c1ccc(c(c1)OCn2c(ccn2)C(=O)O)Cl
Chemical ID:
7667996
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)OCn2c(ccn2)C(=O)O)Cl
InChi [?]:
InChI=1/C11H9ClN2O3/c12-8-3-1-2-4-10(8)17-7-14-9(11(15)16)5-6-13-14/h1-6H,7H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,11,12,8,4,10,5,14,17,13,9,15,16,7/E:(15,16)/rA:17nCCCCCCOCNCCCNCOOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;s9d12;s10;d14;s14;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9ClN2O3
All Atoms:26
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:6.58541
Area:420.678
Solvation:-3.93155
Coulombic:-40.5982
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.71
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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