Chemical ID: 7518190

c1cc(ccc1CN2C(=O)C3C4CCC(C3C2=O)C=C4)Br
Chemical ID:
7518190
Name [?]:
None
SMILES [?]:
c1cc(ccc1CN2C(=O)C3C4CCC(C3C2=O)C=C4)Br
InChi [?]:
InChI=1/C17H16BrNO2/c18-13-7-1-10(2-8-13)9-19-16(20)14-11-3-4-12(6-5-11)15(14)17(19)21/h1-4,7-8,11-12,14-15H,5-6,9H2
InChi Info:
AuxInfo=1/0/N:1,5,19,20,14,13,2,4,7,6,15,12,3,16,11,17,9,21,8,18,10/E:(1,2)(3,4)(5,6)(7,8)(11,12)(14,15)(16,17)(20,21)/rA:21cCCCCCCCNCOCCCCCCCOCCBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s8s16;d17;s15;s12d19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16BrNO2
All Atoms:37
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:9.16183
Area:455.326
Solvation:-2.22131
Coulombic:-26.7514
Bond Count [?]
All:24
Single:18
Double:6
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.22
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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