Chemical ID: 4183512

c1ccc-2c(c1)CNC(=O)c3c2cccc3
Chemical ID:
4183512
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CNC(=O)c3c2cccc3
InChi [?]:
InChI=1/C14H11NO/c16-14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-15-14/h1-8H,9H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,6,3,13,16,7,5,4,12,11,9,8,10/rA:16nCCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s4s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.38591
Area:363.875
Solvation:-1.71097
Coulombic:-24.4776
Bond Count [?]
All:18
Single:11
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:209.243
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.05
LogP (Chemaxon):2.36

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Experimental Annotations

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Descriptor Annotations

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