Chemical ID: 4799364

CN1C(c2c(=O)c3cc(ccc3oc2C1=O)Br)c4ccc(cc4)OC
Chemical ID:
4799364
Name [?]:
None
SMILES [?]:
CN1C(c2c(=O)c3cc(ccc3oc2C1=O)Br)c4ccc(cc4)OC
InChi [?]:
InChI=1/C19H14BrNO4/c1-21-16(10-3-6-12(24-2)7-4-10)15-17(22)13-9-11(20)5-8-14(13)25-18(15)19(21)23/h3-9,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,19,23,10,20,22,11,8,18,9,21,7,12,4,3,5,14,15,17,2,6,16,24,13/E:(3,4)(6,7)/rA:25cCNCCCOCCCCCCOCCOBrCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;d4s13;s2s14;d15;s9;s3;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14BrNO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:8.94664
Area:530.886
Solvation:-4.32551
Coulombic:-41.9023
Bond Count [?]
All:28
Single:19
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:400.223
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.13
LogP (Chemaxon):3.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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