Chemical ID: 6607135

Cc1c2ccccc2nc-3c1COc4c3cccc4
Chemical ID:
6607135
Name [?]:
None
SMILES [?]:
Cc1c2ccccc2nc-3c1COc4c3cccc4
InChi [?]:
InChI=1/C17H13NO/c1-11-12-6-2-4-8-15(12)18-17-13-7-3-5-9-16(13)19-10-14(11)17/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,17,6,18,4,16,7,19,12,2,3,15,11,8,14,10,9,13/rA:19nCCCCCCCCNCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d2s10;s11;s12;s13;s10s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.07494
Area:406.908
Solvation:-2.09776
Coulombic:-15.8237
Bond Count [?]
All:22
Single:14
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:247.291
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.19
LogP (Chemaxon):4.16

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Descriptor Annotations

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