Chemical ID: 4560430

Cc1cccc(c1)C2c3c(c4ccccc4[nH]3)CC(N2)C(=O)O
Chemical ID:
4560430
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)C2c3c(c4ccccc4[nH]3)CC(N2)C(=O)O
InChi [?]:
InChI=1/C19H18N2O2/c1-11-5-4-6-12(9-11)17-18-14(10-16(21-17)19(22)23)13-7-2-3-8-15(13)20-18/h2-9,16-17,20-21H,10H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,13,14,4,3,5,12,15,7,18,2,6,11,10,16,19,8,9,21,17,20,22,23/E:(22,23)/rA:23cCCCCCCCCCCCCCCCCNCCNCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s10;s18;s8s19;s19;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:9.94079
Area:496.192
Solvation:-2.46402
Coulombic:-49.0659
Bond Count [?]
All:26
Single:18
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:306.358
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.96
LogP (Chemaxon):1.71

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Descriptor Annotations

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