Chemical ID: 4557500

CC1c2c(c3cc(ccc3[nH]2)OC)CCN1
Chemical ID:
4557500
Name [?]:
None
SMILES [?]:
CC1c2c(c3cc(ccc3[nH]2)OC)CCN1
InChi [?]:
InChI=1/C13H16N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7-8,14-15H,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,8,9,14,15,6,2,7,4,5,10,3,16,11,12/rA:16cCCCCCCCCCCNOCCCN/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s7;s12;s4;s14;s2s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:6.89934
Area:380.486
Solvation:-2.61281
Coulombic:-26.6268
Bond Count [?]
All:18
Single:14
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:216.279
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.9
LogP (Chemaxon):1.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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