Chemical ID: 4395010

c1cc(cc(c1)I)N2C(=O)C3C4CCC(C3C2=O)C=C4
Chemical ID:
4395010
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)I)N2C(=O)C3C4CCC(C3C2=O)C=C4
InChi [?]:
InChI=1/C16H14INO2/c17-11-2-1-3-12(8-11)18-15(19)13-9-4-5-10(7-6-9)14(13)16(18)20/h1-5,8-10,13-14H,6-7H2
InChi Info:
AuxInfo=1/0/N:1,6,2,19,20,14,13,4,15,12,5,3,16,11,17,9,7,8,18,10/E:(4,5)(6,7)(9,10)(13,14)(15,16)(19,20)/rA:20cCCCCCCINCOCCCCCCCOCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;s11s15;s8s16;d17;s15;s12d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14INO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:4
ZAP Information [?]
Total:8.87081
Area:451.786
Solvation:-2.42385
Coulombic:-25.4172
Bond Count [?]
All:23
Single:17
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:379.192
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.34
LogP (Chemaxon):3.15

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Descriptor Annotations

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