Chemical ID: 4188598

CC1Cc2c3cc(ccc3[nH]c2C(=O)N1)OC
Chemical ID:
4188598
Name [?]:
None
SMILES [?]:
CC1Cc2c3cc(ccc3[nH]c2C(=O)N1)OC
InChi [?]:
InChI=1/C13H14N2O2/c1-7-5-10-9-6-8(17-2)3-4-11(9)15-12(10)13(16)14-7/h3-4,6-7,15H,5H2,1-2H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,17,8,9,3,6,2,7,5,4,10,12,13,15,11,14,16/rA:17cCCCCCCCCCCNCCONOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d4s11;s12;d13;s2s13;s7;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.6625
Area:393.903
Solvation:-3.18508
Coulombic:-40.3765
Bond Count [?]
All:19
Single:14
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:230.263
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.73
LogP (Chemaxon):1.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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