Chemical ID: 6693634

CC1=NCCc2c1[nH]c3c2cc(cc3)OC
Chemical ID:
6693634
Name [?]:
None
SMILES [?]:
CC1=NCCc2c1[nH]c3c2cc(cc3)OC
InChi [?]:
InChI=1/C13H14N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7,15H,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,13,14,5,4,11,2,12,6,10,9,7,3,8,15/rA:16nCCNCCCCNCCCCCCOC/rB:s1;d2;s3;s4;s5;s2d6;s7;s8;s6s9;d10;s11;d12;d9s13;s12;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.58753
Area:380.41
Solvation:-2.92272
Coulombic:-22.9804
Bond Count [?]
All:18
Single:13
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:214.263
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.92
LogP (Chemaxon):1.67

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Descriptor Annotations

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