Chemical ID: 5051535

CCOC(=O)C1=C(c2ccccc2CC13CCCCC3)N
Chemical ID:
5051535
Name [?]:
None
SMILES [?]:
CCOC(=O)C1=C(c2ccccc2CC13CCCCC3)N
InChi [?]:
InChI=1/C18H23NO2/c1-2-21-17(20)15-16(19)14-9-5-4-8-13(14)12-18(15)10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12,19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,11,10,17,19,12,9,16,20,14,13,8,6,7,4,15,21,5,3/E:(6,7)(10,11)/rA:21nCCOCOCCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;d8s12;s13;s6s14;s15;s16;s17;s18;s15s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.9369
Area:464.626
Solvation:-1.67874
Coulombic:-38.6761
Bond Count [?]
All:23
Single:18
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:285.381
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.9
LogP (Chemaxon):2.5

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Experimental Annotations

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Descriptor Annotations

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