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Chemical ID: 4309566
Chemical ID:
4309566
Name [?]:
(4-nitrophenyl)-(1,2,3,4-tetrahydrocarbazol-9-yl)methanone
SMILES [?]:
c1ccc2c(c1)c3c(n2C(=O)c4ccc(cc4)[N+](=O)[O-])CCCC3
InChi [?]:
InChI=1/C19H16N2O3/c22-19(13-9-11-14(12-10-13)21(23)24)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1,3,5,7,9-12H,2,4,6,8H2
InChi Info:
AuxInfo=1/0/N:1,23,2,22,6,24,3,21,13,17,14,16,12,15,5,7,4,8,10,9,18,11,19,20/E:(9,10)(11,12)(23,24)/CRV:21.5/rA:24nCCCCCCCCNCOCCCCCCN+OO-CCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;d18;s18;s8;s21;s22;s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.35357 |
Area: | 508.471 |
Solvation: | -7.3582 |
Coulombic: | -29.3831 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 320.342 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.79 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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