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Chemical ID: 6840270

Chemical ID:

6840270

Name [?]:

N-(2-chlorophenyl)-2-(9-oxo-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-trien-7-yl)-acetamide

SMILES [?]:

c1ccc(c(c1)NC(=O)CN2CC(=O)Oc3c2cccc3)Cl

InChi [?]:

InChI=1/C16H13ClN2O3/c17-11-5-1-2-6-12(11)18-15(20)9-19-10-16(21)22-14-8-4-3-7-13(14)19/h1-8H,9-10H2,(H,18,20)

InChi Info:

AuxInfo=1/1/N:2,1,19,20,3,6,18,21,10,12,4,5,17,16,8,13,22,7,11,9,14,15/rA:22cCCCCCCNCOCNCCOOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s13;s15;s11s16;d17;s18;d19;d16s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃ClN₂O₃
All Atoms:	35
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	8.24801
Area:	494.589
Solvation:	-4.11672
Coulombic:	-46.9578

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	316.739
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.84
LogP (Chemaxon):	2.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value