Chemical ID: 4798022

c1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCO)Cl
Chemical ID:
4798022
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCO)Cl
InChi [?]:
InChI=1/C19H14ClNO4/c20-12-6-7-14-13(10-12)17(23)15-16(11-4-2-1-3-5-11)21(8-9-22)19(24)18(15)25-14/h1-7,10,16,22H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,15,22,23,12,4,13,11,16,8,7,9,18,19,25,21,24,10,20,17/E:(2,3)(4,5)/rA:25cCCCCCCCCCOCCCCCCOCCONCCOCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d8s17;s18;d19;s7s19;s21;s22;s23;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14ClNO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.37985
Area:531.612
Solvation:-3.91046
Coulombic:-52.5227
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:355.772
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.33
LogP (Chemaxon):2.73

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Descriptor Annotations

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