Chemical ID: 7091843

CCOC(=O)C1Cc2c3ccccc3[nH]c2CN1
Chemical ID:
7091843
Name [?]:
None
SMILES [?]:
CCOC(=O)C1Cc2c3ccccc3[nH]c2CN1
InChi [?]:
InChI=1/C14H16N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-6,12,15-16H,2,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,12,10,13,7,17,9,8,14,6,16,4,18,15,5,3/rA:18cCCOCOCCCCCCCCCNCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;d8s15;s16;s6s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2O2
All Atoms:34
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.19048
Area:430.044
Solvation:-2.56063
Coulombic:-39.0451
Bond Count [?]
All:20
Single:15
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:244.289
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.69
LogP (Chemaxon):1.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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