Chemical ID: 4918232

CCOC(=O)C1=CCC2c3c(c4ccccc4[nH]3)CCN2C1=O
Chemical ID:
4918232
Name [?]:
None
SMILES [?]:
CCOC(=O)C1=CCC2c3c(c4ccccc4[nH]3)CCN2C1=O
InChi [?]:
InChI=1/C18H18N2O3/c1-2-23-18(22)13-7-8-15-16-12(9-10-20(15)17(13)21)11-5-3-4-6-14(11)19-16/h3-7,15,19H,2,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,15,13,16,7,8,19,20,12,11,6,17,9,10,22,4,18,21,23,5,3/rA:23cCCOCOCCCCCCCCCCCCNCCNCO/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s11;s19;s9s20;s6s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.17909
Area:491.867
Solvation:-3.11758
Coulombic:-47.8658
Bond Count [?]
All:26
Single:19
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:310.347
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.09
LogP (Chemaxon):1.96

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue