Chemical ID: 4799803

CN1C(c2c(=O)c3cc(ccc3oc2C1=O)Br)c4ccc(cc4)Cl
Chemical ID:
4799803
Name [?]:
None
SMILES [?]:
CN1C(c2c(=O)c3cc(ccc3oc2C1=O)Br)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C18H11BrClNO3/c1-21-15(9-2-5-11(20)6-3-9)14-16(22)12-8-10(19)4-7-13(12)24-17(14)18(21)23/h2-8,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,23,10,20,22,11,8,18,9,21,7,12,4,3,5,14,15,17,24,2,6,16,13/E:(2,3)(5,6)/rA:24cCNCCCOCCCCCCOCCOBrCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;d4s13;s2s14;d15;s9;s3;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H11BrClNO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.2222
Area:528.192
Solvation:-2.98261
Coulombic:-35.8132
Bond Count [?]
All:27
Single:18
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:404.642
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.84
LogP (Chemaxon):3.97

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Descriptor Annotations

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